Crystallography Open Database

Formula: - C24 H66 Mo12 N4 O50 P2 -
Comments: Lyxell,D-G.; Bostrom,D.; Hashimoto,M.; Pettersson,L. Multicomponent Polyanions. 53. Structure of Tetrakis(trimethylammonium) Tetra-μ-oxo-bis(triaquahexadecaoxo(trioxophenylphosphato)hexamolybdate) Dihydrate, [NH(CH~3~)~3~]~4~[{(C~6~H~5~P)Mo~6~O~21~(H~2~O)~3~}~2~].2H~2~O Acta Crystallographica Section B 54(4) (1998) 424-430
Space group: P 1 21/n 1
Cell volume: 3314
Cell parameters: 11.211; 12.862; 23.05; 90; 94.37; 90;

COD ID: 2002891

Formula: - Al4.5 Fe Si -
Comments: Hansen, Vidar; Hauback, Bjørn; Sundberg, M.; Rømming, Chr.; Gjønnes, Jon β-Al~4.5~FeSi: A Combined Synchrotron Powder Diffraction, Electron Diffraction, High-Resolution Electron Microscopy and Single-Crystal X-ray Diffraction Study of a Faulted Structure Acta Crystallographica Section B 54(4) (1998) 351-357
Space group: A 1 2/a 1
Cell volume: 791.26
Cell parameters: 6.1676; 6.1661; 20.8093; 90; 91; 90;

COD ID: 2002892

Formula: - Al1.95 Na1.95 O4 Si0.05 -
Comments: Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B 54(5) (1998) 531-546
Space group: P 41 21 2
Cell volume: 198.74
Cell parameters: 5.2997; 5.2997; 7.0758; 90; 90; 90;

COD ID: 2002893

Formula: - Al1.75 Na1.75 O4 Si0.25 -
Comments: Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B 54(5) (1998) 531-546
Space group: P b c a
Cell volume: 772.4
Cell parameters: 10.416; 14.25; 5.2038; 90; 90; 90;

COD ID: 2002894

Formula: - Al1.65 Na1.65 O4 Si0.35 -
Comments: Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B 54(5) (1998) 531-546
Space group: P 41 21 2
Cell volume: 772.4
Cell parameters: 10.3872; 10.3872; 7.1589; 90; 90; 90;

COD ID: 2002895

Formula: - Al1.55 Na1.55 O4 Si0.45 -
Comments: Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B 54(5) (1998) 531-546
Space group: P b c a
Cell volume: 765.6
Cell parameters: 10.385; 14.198; 5.1925; 90; 90; 90;

COD ID: 2002896

Formula: - Al1.15 Na1.15 O4 Si0.85 -
Comments: Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B 54(5) (1998) 531-546
Space group: P b 21 a
Cell volume: 1497.8
Cell parameters: 10.214; 14.226; 10.308; 90; 90; 90;

COD ID: 2002899
CIF file Original IUCr paper	Formula: - C4 H6 N4 Na2 Ni O3 - Comments: Ptasiewicz-Bąk, H.; Olovsson, I.; McIntyre, G.J. Structure, Charge and Spin Density in Na~2~Ni(CN)~4~.3H~2~O at 295 and 30 K Acta Crystallographica Section B 54(5) (1998) 600-612 Space group: P -1 Cell volume: 988.3 Cell parameters: 7.392; 8.895; 15.115; 89.12; 87.46; 84.54;

COD ID: 2002900
CIF file Original IUCr paper	Formula: - C4 H6 N4 Na2 Ni O3 - Comments: Ptasiewicz-Bąk, H.; Olovsson, I.; McIntyre, G.J. Structure, Charge and Spin Density in Na~2~Ni(CN)~4~.3H~2~O at 295 and 30 K Acta Crystallographica Section B 54(5) (1998) 600-612 Space group: P -1 Cell volume: 983.5 Cell parameters: 7.32; 8.902; 15.204; 89.333; 87.336; 83.621;

COD ID: 2002906
CIF file Original IUCr paper	Formula: - C6 H17 I3 N2 O11 - Comments: A. M. Petrosyan; R. P. Sukiasyan; S. S. Terzyan; V. M. Burbelo Interaction of lysine with iodic acid Acta Crystallographica Section B 55(2) (1999) 221-225 Space group: P 1 21 1 Cell volume: 779.6 Cell parameters: 8.36; 6.33; 14.75; 90; 92.86; 90;

COD ID: 2002907
CIF file Original IUCr paper	Formula: - As2 Cs0.14 O10 Rb1.86 Ti2 - Comments: Womersley, M. N.; Thomas, P. A.; Corker, D. L. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry Acta Crystallographica Section B 54(5) (1998) 635-644 Space group: P n a 21 Cell volume: 954.68 Cell parameters: 13.2691; 6.6848; 10.7629; 90; 90; 90;

COD ID: 2002908
CIF file Original IUCr paper	Formula: - As2 Cs0.62 O10 Rb1.38 Ti2 - Comments: Womersley, M. N.; Thomas, P. A.; Corker, D. L. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry Acta Crystallographica Section B 54(5) (1998) 635-644 Space group: P n a 21 Cell volume: 963.8 Cell parameters: 13.33; 6.7181; 10.762; 90; 90; 90;

COD ID: 2002909
CIF file Original IUCr paper	Formula: - As2 Cs1.15 O10 Rb0.85 Ti2 - Comments: Womersley, M. N.; Thomas, P. A.; Corker, D. L. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry Acta Crystallographica Section B 54(5) (1998) 635-644 Space group: P n a 21 Cell volume: 974.7 Cell parameters: 13.392; 6.769; 10.7524; 90; 90; 90;

COD ID: 2002910
CIF file Original IUCr paper	Formula: - As2 Cs1.43 O10 Rb0.57 Ti2 - Comments: Womersley, M. N.; Thomas, P. A.; Corker, D. L. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry Acta Crystallographica Section B 54(5) (1998) 635-644 Space group: P n a 21 Cell volume: 979.52 Cell parameters: 13.426; 6.8054; 10.7205; 90; 90; 90;

COD ID: 2002911
CIF file Original IUCr paper	Formula: - As2 Cs1.73 O10 Rb0.27 Ti2 - Comments: Womersley, M. N.; Thomas, P. A.; Corker, D. L. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry Acta Crystallographica Section B 54(5) (1998) 635-644 Space group: P n a 21 Cell volume: 985.4 Cell parameters: 13.467; 6.836; 10.704; 90; 90; 90;

COD ID: 2002912
CIF file Original IUCr paper	Formula: - As2 Cs1.4 O10 Rb0.6 Ti2 - Comments: Womersley, M. N.; Thomas, P. A.; Corker, D. L. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry Acta Crystallographica Section B 54(5) (1998) 635-644 Space group: P n a 21 Cell volume: 982.8 Cell parameters: 13.43; 6.8; 10.762; 90; 90; 90;

COD ID: 2002913
CIF file Original IUCr paper	Formula: - As2 Cs1.72 O10 Rb0.28 Ti2 - Comments: Womersley, M. N.; Thomas, P. A.; Corker, D. L. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry Acta Crystallographica Section B 54(5) (1998) 635-644 Space group: P n a 21 Cell volume: 983.5 Cell parameters: 13.442; 6.816; 10.735; 90; 90; 90;

COD ID: 2002914

Formula: - As2 Cs1.8 O10 Rb0.16 Ti2 -
Comments: Thomas, P. A.; Womersley, M. N. Investigation of the Cs~x~Rb~1{-~x}TiOAsO~4~ Series. II. The Problems of Interpretation of Residual Electron Densities in a Polar Space Group Acta Crystallographica Section B 54(5) (1998) 645-651
Space group: P n a 21
Cell volume: 985.5
Cell parameters: 13.466; 6.837; 10.704; 90; 90; 90;

COD ID: 2002915

Formula: - C13 H19 N O5 -
Comments: Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte Charge density study of N-acetyl-L-tyrosine ethyl ester monohydrate derived from CCD area detector data Acta Crystallographica Section B 55(2) (1999) 226-230
Space group: P 21 21 21
Cell volume: 1361.6
Cell parameters: 7.235; 13.056; 14.415; 90; 90; 90;

COD ID: 2002916

Formula: - C13 H19 N O5 -
Comments: Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte Charge density study of N-acetyl-L-tyrosine ethyl ester monohydrate derived from CCD area detector data Acta Crystallographica Section B 55(2) (1999) 226-230
Space group: P 21 21 21
Cell volume: 1408.31
Cell parameters: 7.3827; 13.1421; 14.515; 90; 90; 90;

COD ID: 2002918

Formula: - C6 H8 N6 O5 -
Comments: Chernyshev, Vladimir V.; Fitch, Andrew N.; Sonneveld, Eduard J.; Kurbakov, Alexander I.; Makarov, Vadim A.; Tafeenko, Victor A. Crystal and molecular structures of 2-[1-(2-aminoethyl)-2-imidazolidinylidene]-2-nitroacetonitrile (C~7~H~11~N~5~O~2~) and 2,6-diamino-5-hydroxy-3-nitro-4H-pyrazolo[1,5-a]pyrimidin-7-one monohydrate (C~6~H~6~N~6~O~4~·H~2~O) from X-ray, synchrotron and neutron powder diffraction data Acta Crystallographica Section B 55(4) (1999) 554-562
Space group: P 1 21/n 1
Cell volume: 894.3
Cell parameters: 17.576; 10.9; 4.6738; 90; 92.867; 90;

COD ID: 2002919
CIF file Original IUCr paper	Formula: - C18 H20 N2 O2 - Comments: Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. Supramolecular Alcohol‒Amine Crystals and Their Hydrogen-Bond Patterns Acta Crystallographica Section B 54(5) (1998) 695-704 Space group: P 1 21/c 1 Cell volume: 801.72 Cell parameters: 18.281; 5.379; 8.155; 90; 91.25; 90;

COD ID: 2002920
CIF file Original IUCr paper	Formula: - C30 H28 N2 O2 - Comments: Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. Supramolecular Alcohol‒Amine Crystals and Their Hydrogen-Bond Patterns Acta Crystallographica Section B 54(5) (1998) 695-704 Space group: P 1 21/c 1 Cell volume: 1164.9 Cell parameters: 26.629; 5.426; 8.095; 90; 95.15; 90;

COD ID: 2002921
CIF file Original IUCr paper	Formula: - C16 H16 N2 O2 - Comments: Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. Supramolecular Alcohol‒Amine Crystals and Their Hydrogen-Bond Patterns Acta Crystallographica Section B 54(5) (1998) 695-704 Space group: P 1 21/c 1 Cell volume: 685.62 Cell parameters: 14.94; 5.4816; 8.372; 90; 90.25; 90;

COD ID: 2002922
CIF file Original IUCr paper	Formula: - C12 H22 N2 O2 - Comments: Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. Supramolecular Alcohol‒Amine Crystals and Their Hydrogen-Bond Patterns Acta Crystallographica Section B 54(5) (1998) 695-704 Space group: C 1 2/c 1 Cell volume: 1290.64 Cell parameters: 31.2595; 5.1534; 8.2639; 90; 104.189; 90;

COD ID: 2002923
CIF file Original IUCr paper	Formula: - C18 H18 Cl2 N2 O2 - Comments: Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. Supramolecular Alcohol‒Amine Crystals and Their Hydrogen-Bond Patterns Acta Crystallographica Section B 54(5) (1998) 695-704 Space group: P -1 Cell volume: 439.93 Cell parameters: 4.4878; 8.785; 11.987; 70; 86.67; 82.18;

COD ID: 2002924
CIF file Original IUCr paper	Formula: - C5 H5 N O - Comments: Yang, H.W.; Craven, B.M. Charge Density Study of 2-Pyridone Acta Crystallographica Section B 54(6) (1998) 912-920 Space group: P 21 21 21 Cell volume: 441.9 Cell parameters: 13.585; 5.806; 5.603; 90; 90; 90;

COD ID: 2002925

Formula: - Be F4 H8 N2 -
Comments: Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F. Neutron structures of ammonium tetrafluoroberyllate Acta Crystallographica Section B 55(1) (1999) 17-23
Space group: P n m a
Cell volume: 460
Cell parameters: 7.531; 5.874; 10.399; 90; 90; 90;

COD ID: 2002926

Formula: - Be F4 H8 N2 -
Comments: Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F. Neutron structures of ammonium tetrafluoroberyllate Acta Crystallographica Section B 55(1) (1999) 17-23
Space group: P n a 21
Cell volume: 919.3
Cell parameters: 15.017; 5.876; 10.418; 90; 90; 90;

COD ID: 2002927

Formula: - Be F4 H8 N2 -
Comments: Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F. Neutron structures of ammonium tetrafluoroberyllate Acta Crystallographica Section B 55(1) (1999) 17-23
Space group: P n a 21
Cell volume: 914.2
Cell parameters: 14.997; 5.86; 10.402; 90; 90; 90;

COD ID: 2002928
CIF file Original IUCr paper	Formula: - C12 H12 - Comments: Kaduk, J.A.; Golab, J.T. Structures of 2,6-disubstituted naphthalenes Acta Crystallographica Section B 55(1) (1999) 85-94 Space group: P b c a Cell volume: 911.13 Cell parameters: 7.4544; 6.0826; 20.0946; 90; 90; 90;

COD ID: 2002929
CIF file Original IUCr paper	Formula: - C12 H8 O4 - Comments: Kaduk, J.A.; Golab, J.T. Structures of 2,6-disubstituted naphthalenes Acta Crystallographica Section B 55(1) (1999) 85-94 Space group: P -1 Cell volume: 235 Cell parameters: 3.7061; 7.4688; 8.535; 86.62; 85.49; 87.99;

COD ID: 2002930
CIF file Original IUCr paper	Formula: - C14 H12 O4 - Comments: Kaduk, J.A.; Golab, J.T. Structures of 2,6-disubstituted naphthalenes Acta Crystallographica Section B 55(1) (1999) 85-94 Space group: P 1 21/c 1 Cell volume: 580.471 Cell parameters: 13.41931; 6.14869; 7.15257; 90; 100.4; 90;

COD ID: 2002931
CIF file Original IUCr paper	Formula: - Al177 Cr49 Ni - Comments: Marsh, R. E. Concerning the κ Phase of Al‒Cr‒Ni Acta Crystallographica Section B 54(6) (1998) 925-926 Space group: P 63/m Cell volume: 3385.8 Cell parameters: 17.674; 17.674; 12.516; 90; 90; 120;

COD ID: 2002932

Formula: - C6 H2 Cl2 N2 O2 -
Comments: Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B 55(4) (1999) 530-542
Space group: C 1 2/c 1
Cell volume: 727.3
Cell parameters: 11.397; 8.871; 7.222; 90; 95.12; 90;

COD ID: 2002933

Formula: - C6 H2 Cl2 N2 O2 -
Comments: Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B 55(4) (1999) 530-542
Space group: C 1 2/c 1
Cell volume: 749.6
Cell parameters: 11.554; 8.926; 7.31; 90; 96.1; 90;

COD ID: 2002934

Formula: - C6 H2 Cl2 N2 O2 -
Comments: Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B 55(4) (1999) 530-542
Space group: P 1 21/n 1
Cell volume: 740.05
Cell parameters: 7.0679; 11.7502; 9.0114; 90; 98.563; 90;

COD ID: 2002935

Formula: - C6 H2 Cl2 N2 O2 -
Comments: Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B 55(4) (1999) 530-542
Space group: P 1 21/n 1
Cell volume: 761.4
Cell parameters: 7.1739; 11.8351; 9.0639; 90; 98.35; 90;

COD ID: 2002936

Formula: - C6 H2 Cl2 N2 O2 -
Comments: Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B 55(4) (1999) 530-542
Space group: C 1 2/c 1
Cell volume: 753.5
Cell parameters: 7.2233; 9.0549; 11.57; 90; 95.315; 90;

COD ID: 2002937

Formula: - C6 H2 Cl2 N2 O2 -
Comments: Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B 55(4) (1999) 530-542
Space group: C 1 2/c 1
Cell volume: 763.4
Cell parameters: 7.293; 9.061; 11.618; 90; 96.12; 90;

COD ID: 2002938

Formula: - C8 H2 Cl2 O3 -
Comments: Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B 55(4) (1999) 530-542
Space group: C 1 2/c 1
Cell volume: 799.2
Cell parameters: 11.987; 8.994; 7.423; 90; 92.91; 90;

COD ID: 2002939

Formula: - C8 H2 Br2 O3 -
Comments: Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B 55(4) (1999) 530-542
Space group: C -1
Cell volume: 859.5
Cell parameters: 12.923; 9.209; 7.628; 105.08; 99.2; 81.29;

COD ID: 2002940
CIF file Original IUCr paper	Formula: - C12 H7 K O3 S - Comments: Craven, B. M.; Ballas, F. L. Thermal vibrations in potassium 3-benzoyl-2-thiophenecarboxylate Acta Crystallographica Section B 55(3) (1999) 375-379 Space group: P b c a Cell volume: 2260.7 Cell parameters: 10.76; 7.74; 27.145; 90; 90; 90;

COD ID: 2002942
CIF file Original IUCr paper	Formula: - Na Nb O3 - Comments: Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B 55(1) (1999) 24-30 Space group: P 2 2 21 Cell volume: 486.948 Cell parameters: 7.85758; 7.86793; 7.8765; 90; 90; 90;

COD ID: 2002943
CIF file Original IUCr paper	Formula: - Na O3 Ta - Comments: Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B 55(1) (1999) 24-30 Space group: P 2 2 21 Cell volume: 483.332 Cell parameters: 7.83729; 7.84887; 7.85728; 90; 90; 90;

COD ID: 2002944
CIF file Original IUCr paper	Formula: - Na Nb O3 - Comments: Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B 55(1) (1999) 24-30 Space group: P 4/m b m Cell volume: 122.319 Cell parameters: 5.56896; 5.56896; 3.94408; 90; 90; 90;

COD ID: 2002945
CIF file Original IUCr paper	Formula: - Na O3 Ta - Comments: Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B 55(1) (1999) 24-30 Space group: P 4/m b m Cell volume: 121.388 Cell parameters: 5.55465; 5.55465; 3.93426; 90; 90; 90;

COD ID: 2002946
CIF file Original IUCr paper	Formula: - C5 H8 N2 - Comments: Infantes, L.; Foces-Foces, C.; Elguero,J. 3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis Acta Crystallographica Section B 55(3) (1999) 441-447 Space group: P -1 Cell volume: 1727.4 Cell parameters: 14.417; 12.02; 12.042; 119.99; 105.991; 87.224;

COD ID: 2002947

Formula: - C6 H10 N2 -
Comments: Infantes, L.; Foces-Foces, C.; Elguero,J. 3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis Acta Crystallographica Section B 55(3) (1999) 441-447
Space group: I 1 2/a 1
Cell volume: 1960
Cell parameters: 14.1911; 8.252; 16.7382; 90; 90.696; 90;

COD ID: 2002949
CIF file Original IUCr paper	Formula: - Co0.2 H2 Na O5 P Zn0.8 - Comments: Madeleine Helliwell Determination of the site of incorporation of cobalt in CoZnPO-CZP by multiple-wavelength anomalous-dispersion crystallography Acta Crystallographica Section B 55(3) (1999) 327-332 Space group: P 65 2 2 Cell volume: 1427.7 Cell parameters: 10.464; 10.464; 15.056; 90; 90; 120;

COD ID: 2002952
CIF file Original IUCr paper	Formula: - C H10 F6 N4 O Zr - Comments: Ross II, C. R.; Paulsen, B. L.; Nielson, R. M.; Abrahams, S. C. Aminoguanidinium(2+) Hexafluorozirconate Monohydrate: A Co-Product of Preparing the Ferroelectric Anhydrous Salt Acta Crystallographica Section B 54(4) (1998) 417-423 Space group: P 1 21/n 1 Cell volume: 1658.6 Cell parameters: 12.377; 9.7522; 13.8543; 90; 97.326; 90;

COD ID: 2002953
CIF file Original IUCr paper	Formula: - Co1.26 Fe2.74 La0.743 Sb12 - Comments: Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B 55(3) (1999) 341-347 Space group: I m -3 Cell volume: 752.85 Cell parameters: 9.0971; 9.0971; 9.0971; 90; 90; 90;

COD ID: 2002954
CIF file Original IUCr paper	Formula: - Co1.26 Fe2.74 La0.743 Sb12 - Comments: Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B 55(3) (1999) 341-347 Space group: I m -3 Cell volume: 749.95 Cell parameters: 9.0854; 9.0854; 9.0854; 90; 90; 90;

COD ID: 2002955
CIF file Original IUCr paper	Formula: - Co1.26 Fe2.74 La0.743 Sb12 - Comments: Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B 55(3) (1999) 341-347 Space group: I m -3 Cell volume: 750.02 Cell parameters: 9.0857; 9.0857; 9.0857; 90; 90; 90;

COD ID: 2002956
CIF file Original IUCr paper	Formula: - Co1.26 Fe2.74 La0.743 Sb12 - Comments: Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B 55(3) (1999) 341-347 Space group: I m -3 Cell volume: 748.93 Cell parameters: 9.0813; 9.0813; 9.0813; 90; 90; 90;

COD ID: 2002957
CIF file Original IUCr paper	Formula: - Co1.26 Fe2.74 La0.743 Sb12 - Comments: Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B 55(3) (1999) 341-347 Space group: I m -3 Cell volume: 748.84 Cell parameters: 9.0809; 9.0809; 9.0809; 90; 90; 90;

COD ID: 2002958
CIF file Original IUCr paper	Formula: - Co1.26 Fe2.74 La0.743 Sb12 - Comments: Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B 55(3) (1999) 341-347 Space group: I m -3 Cell volume: 748.96 Cell parameters: 9.0814; 9.0814; 9.0814; 90; 90; 90;

COD ID: 2002959
CIF file Original IUCr paper	Formula: - Co1.26 Fe2.74 La0.743 Sb12 - Comments: Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B 55(3) (1999) 341-347 Space group: I m -3 Cell volume: 749.58 Cell parameters: 9.0839; 9.0839; 9.0839; 90; 90; 90;

COD ID: 2002960
CIF file Original IUCr paper	Formula: - Co1.26 Fe2.74 La0.743 Sb12 - Comments: Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B 55(3) (1999) 341-347 Space group: I m -3 Cell volume: 747.9 Cell parameters: 9.0771; 9.0771; 9.0771; 90; 90; 90;

COD ID: 2002961
CIF file Original IUCr paper	Formula: - Co1.26 Fe2.74 La0.743 Sb12 - Comments: Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B 55(3) (1999) 341-347 Space group: I m -3 Cell volume: 747.67 Cell parameters: 9.0762; 9.0762; 9.0762; 90; 90; 90;

COD ID: 2002962

Formula: - C H8 F6 N4 Si -
Comments: Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C. Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate Acta Crystallographica Section B 55(2) (1999) 246-254
Space group: P c c n
Cell volume: 1387.82
Cell parameters: 10.4232; 17.6675; 7.5363; 90; 90; 90;

COD ID: 2002963

Formula: - C2 H18 F6 N8 O2 Si -
Comments: Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C. Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate Acta Crystallographica Section B 55(2) (1999) 246-254
Space group: P -1
Cell volume: 327.348
Cell parameters: 6.5124; 6.6952; 8.0215; 70.723; 82.745; 89.243;

COD ID: 2002966

Formula: - C2 H2 F3 N O -
Comments: Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. Low-temperature crystallization and structure determination of N-(trifluoromethyl)formamide, N-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide Acta Crystallographica Section B 55(1) (1999) 70-77
Space group: P 21 21 21
Cell volume: 398.3
Cell parameters: 4.547; 5.947; 14.731; 90; 90; 90;

COD ID: 2002967

Formula: - C3 H4 F3 N O -
Comments: Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. Low-temperature crystallization and structure determination of N-(trifluoromethyl)formamide, N-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide Acta Crystallographica Section B 55(1) (1999) 70-77
Space group: P 1 21/n 1
Cell volume: 506.55
Cell parameters: 4.807; 16.707; 6.708; 90; 109.9; 90;

COD ID: 2002968

Formula: - C3 H2 F3 N -
Comments: Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. Low-temperature crystallization and structure determination of N-(trifluoromethyl)formamide, N-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide Acta Crystallographica Section B 55(1) (1999) 70-77
Space group: P 21 21 21
Cell volume: 453
Cell parameters: 5.668; 9.266; 8.626; 90; 90; 90;

COD ID: 2002971

Formula: - C28 H24 N2 O8 S2 -
Comments: Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), trans-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica Section B 55(4) (1999) 573-590
Space group: P 1 21/a 1
Cell volume: 1354.1
Cell parameters: 8.3506; 18.0102; 9.636; 90; 110.869; 90;

COD ID: 2002972

Formula: - C22 H18 N2 O4 S -
Comments: Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), trans-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica Section B 55(4) (1999) 573-590
Space group: P 1 21/n 1
Cell volume: 1955.9
Cell parameters: 7.5765; 23.9154; 11.225; 90; 105.921; 90;

COD ID: 2002973

Formula: - C24 H20 N2 O4 S -
Comments: Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), trans-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica Section B 55(4) (1999) 573-590
Space group: P -1
Cell volume: 1065.9
Cell parameters: 7.3981; 12.7472; 13.0006; 115.037; 102.398; 94.239;

COD ID: 2002974

Formula: - C24 H22 N2 O4 S -
Comments: Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), trans-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica Section B 55(4) (1999) 573-590
Space group: P -1
Cell volume: 1085.6
Cell parameters: 7.7599; 12.4866; 12.914; 114.003; 104.694; 93.69;

COD ID: 2002975

Formula: - C25 H24 N2 O4 S -
Comments: Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), trans-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica Section B 55(4) (1999) 573-590
Space group: P 1 21/c 1
Cell volume: 2261.9
Cell parameters: 10.0292; 15.579; 15.0208; 90; 105.47; 90;

COD ID: 2002976

Formula: - C25 H37 N2 O4.5 S -
Comments: Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), trans-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica Section B 55(4) (1999) 573-590
Space group: P 21 21 21
Cell volume: 4924.8
Cell parameters: 12.2739; 19.454; 20.6251; 90; 90; 90;

COD ID: 2002977

Formula: - C24 H18 N2 O2 -
Comments: Ferguson, George; Glidewell, Christopher; Lavender, Emma S. Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1) Acta Crystallographica Section B 55(4) (1999) 591-600
Space group: C 1 2/c 1
Cell volume: 1850.6
Cell parameters: 13.0288; 12.1865; 12.0778; 90; 105.199; 90;

COD ID: 2002978

Formula: - C36 H26 N4 O2 S -
Comments: Ferguson, George; Glidewell, Christopher; Lavender, Emma S. Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1) Acta Crystallographica Section B 55(4) (1999) 591-600
Space group: P -1
Cell volume: 1429.3
Cell parameters: 7.7342; 13.3624; 14.9843; 110.514; 95.195; 95.895;

COD ID: 2002979

Formula: - C60 H44 N6 O8 S2 -
Comments: Ferguson, George; Glidewell, Christopher; Lavender, Emma S. Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1) Acta Crystallographica Section B 55(4) (1999) 591-600
Space group: C 1 2/c 1
Cell volume: 4947.5
Cell parameters: 15.8692; 24.3728; 13.0952; 90; 102.362; 90;

COD ID: 2002980

Formula: - C33 H30 N2 O4 -
Comments: Ferguson, George; Glidewell, Christopher; Lavender, Emma S. Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1) Acta Crystallographica Section B 55(4) (1999) 591-600
Space group: P b c a
Cell volume: 5425.3
Cell parameters: 22.811; 22.029; 10.7965; 90; 90; 90;

COD ID: 2002981

Formula: - C5 H11 N O6 -
Comments: Rychlewska, Urszula; Szarecka, Agnieszka; Rychlewski, Jacek; Motała, Rafał A mediated hydrogen bond in an α-hydroxycarboxyl group: X-ray structure of (R,R)-N-methyltartramic acid monohydrate and an ab initio study of model systems Acta Crystallographica Section B 55(4) (1999) 617-625
Space group: P 21 21 21
Cell volume: 774.6
Cell parameters: 7.301; 7.658; 13.855; 90; 90; 90;

COD ID: 2002983
CIF file Original IUCr paper	Formula: - O7 V2 Zr - Comments: Evans, J.S.O.; Hanson, J.C.; Sleight, A.W. Room-Temperature Superstructure of ZrV~2~O~7~ Acta Crystallographica Section B 54(6) (1998) 705-713 Space group: P a -3 Cell volume: 18183.1 Cell parameters: 26.296; 26.296; 26.296; 90; 90; 90;

COD ID: 2002984
CIF file Original IUCr paper	Formula: - Fe2 Ho - Comments: Streltsov V. A. Synchrotron X-ray analysis of the electron density in HoFe~2~ Acta Crystallographica Section B 55(3) (1999) 321-326 Space group: F d -3 m :2 Cell volume: 390.47 Cell parameters: 7.3091; 7.3091; 7.3091; 90; 90; 90;

COD ID: 2002985

Formula: - C17 H22 N2 O3 -
Comments: Kálmán, A.; Argay, Gy. Topological Description of Pseudosymmetries in trans-2,3,4,5,5a,6,7,8,9,9a-Decahydro-2-methyl-4-phenylaminocarbonylbenzo[f][1,4]oxazepin-3-one and Other Structures which Crystallize in Space Group P-1 with Z = 8 Acta Crystallographica Section B 54(6) (1998) 877-888
Space group: P -1
Cell volume: 3215.2
Cell parameters: 10.5; 11.617; 28.622; 83.15; 83.41; 68.48;

COD ID: 2002986

Formula: - C51 H52 Cl N O13 -
Comments: Cram, Donald J.; de Graaff, R. A. G.; Knobler, Carolyn B.; Lingenfelter, David S.; Maverick, Emily F.; Trueblood, Kenneth N. Chiral recognition between host and guest: a binaphthyl-18-crown-6 host with D-phenylglycinium methyl ester perchlorate guest. A difficult structure solved with CRUNCH Acta Crystallographica Section B 55(3) (1999) 432-440
Space group: P 21 21 21
Cell volume: 9503
Cell parameters: 23.048; 34.383; 11.992; 90; 90; 90;

COD ID: 2002987

Formula: - In1.4 Se2 Tl0.6 -
Comments: Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I. X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2x~In~2(1{-~x)}Se~2~, x = 0.2, 0.3,···0.9 Acta Crystallographica Section B 54(4) (1998) 358-364
Space group: I 4/m c m
Cell volume: 441.4
Cell parameters: 8.054; 8.054; 6.805; 90; 90; 90;

COD ID: 2002988

Formula: - In1.2 Se2 Tl0.8 -
Comments: Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I. X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2x~In~2(1{-~x)}Se~2~, x = 0.2, 0.3,···0.9 Acta Crystallographica Section B 54(4) (1998) 358-364
Space group: I 4/m c m
Cell volume: 443
Cell parameters: 8.056; 8.056; 6.826; 90; 90; 90;

COD ID: 2002989

Formula: - In0.8 Se2 Tl1.2 -
Comments: Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I. X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2x~In~2(1{-~x)}Se~2~, x = 0.2, 0.3,···0.9 Acta Crystallographica Section B 54(4) (1998) 358-364
Space group: I 4/m c m
Cell volume: 443.37
Cell parameters: 8.057; 8.057; 6.83; 90; 90; 90;

COD ID: 2002990
CIF file Original IUCr paper	Formula: - C7 H8 N2 O2 - Comments: Dr. Andres E. Goeta Experimental evidence for the amino-group non-planarity in nitroanilines: neutron diffraction study of 2-methyl-5-nitroaniline at 100K Acta Crystallographica Section B 55(2) (1999) 209-215 Space group: P 1 21/n 1 Cell volume: 709.6 Cell parameters: 9.369; 5.563; 13.626; 90; 92.36; 90;

COD ID: 2002991

Formula: - C12 H26 N2 O4 -
Comments: Carl Henrik Görbitz Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of L-leucyl-L-valine Acta Crystallographica Section B 55(1) (1999) 104-113
Space group: P 1 21 1
Cell volume: 766.887
Cell parameters: 5.289; 12.6877; 11.4872; 90; 95.8136; 90;

COD ID: 2002992

Formula: - C13 H28 N2 O4 -
Comments: Carl Henrik Görbitz Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of L-leucyl-L-valine Acta Crystallographica Section B 55(1) (1999) 104-113
Space group: P 1 21 1
Cell volume: 3175.88
Cell parameters: 11.0112; 23.5186; 12.2636; 90; 90.0121; 90;

COD ID: 2002993

Formula: - C14 H30 N2 O4 -
Comments: Carl Henrik Görbitz Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of L-leucyl-L-valine Acta Crystallographica Section B 55(1) (1999) 104-113
Space group: P 21 21 21
Cell volume: 1694.4
Cell parameters: 5.1709; 14.6136; 22.423; 90; 90; 90;

COD ID: 2002994
CIF file Original IUCr paper	Formula: - C10 H8 I1.5 S8 - Comments: Madsen, Dennis; Burghammer, Manfred; Fiedler, Stefan; Muller, Harald The single-crystal structure of the organic superconductor β~CO~-(BEDT-TTF)~2~I~3~ from a powder grain Acta Crystallographica Section B 55(4) (1999) 601-606 Space group: P -1 Cell volume: 839.138 Cell parameters: 6.585; 9.038; 15.205; 94.9; 95.74; 110;

COD ID: 2002995

Formula: - C8 H18 Cd O11 -
Comments: Michaelides, O. A.; Tsaousis, D.; Skoulika, S.; Raptopoulou, C. P.; Terzis, A. An Unusual Hydrogen-Bonded Network Associated with Metal-Organic Chains: Structure and Crystal Packing of the Coordination Polymer [Cd(terephthalate)(H~2~O)~3~].4H~2~O Acta Crystallographica Section B 54(5) (1998) 657-662
Space group: P c c a
Cell volume: 1454.8
Cell parameters: 7.304; 9.981; 19.956; 90; 90; 90;

COD ID: 2002997
CIF file Original IUCr paper	Formula: - C8 H24 N2 O4 S - Comments: Malchus, Michael; Jansen, Martin Structural Investigations of the Phase Transitions of Tetramethylammonium Sulfate Acta Crystallographica Section B 54(4) (1998) 494-502 Space group: P 4/n b m :1 Cell volume: 1280.6 Cell parameters: 10.8948; 10.8948; 10.789; 90; 90; 90;

COD ID: 2002998
CIF file Original IUCr paper	Formula: - C57 H52 Cl O2 Os P3 - Comments: Herbst-Irmer, Regine; Sheldrick, George M. Refinement of Twinned Structures with <i>SHELXL</i>97 Acta Crystallographica Section B 54(4) (1998) 443-449 Space group: P 31 Cell volume: 3632.7 Cell parameters: 12.623; 12.623; 26.325; 90; 90; 120;

COD ID: 2002999
CIF file Original IUCr paper	Formula: - O20 P4 Ti5 - Comments: Glaum, Robert; Reinauer, Felix Ideal and Real Structure of Ti~5~O~4~(PO~4~)~4~: X-ray and HRTEM Investigations Acta Crystallographica Section B 54(6) (1998) 722-731 Space group: P 21 21 21 Cell volume: 1381.8 Cell parameters: 12.8417; 14.4195; 7.4622; 90; 90; 90;

COD ID: 2003000

Formula: - C19 H18 O4 -
Comments: Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M. Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers Acta Crystallographica Section B 55(4) (1999) 607-616
Space group: P 1
Cell volume: 751.3
Cell parameters: 8.075; 8.871; 11.606; 72.69; 80.07; 71.84;

COD ID: 2003001

Formula: - C33 H24 Br2 O6 -
Comments: Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M. Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers Acta Crystallographica Section B 55(4) (1999) 607-616
Space group: P 1 21 1
Cell volume: 1371.4
Cell parameters: 7.796; 7.914; 22.243; 90; 92.12; 90;

COD ID: 2003002

Formula: - C26 H19 Br O5 -
Comments: Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M. Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers Acta Crystallographica Section B 55(4) (1999) 607-616
Space group: P 1
Cell volume: 1042.9
Cell parameters: 8.279; 11.539; 11.962; 101.32; 110.25; 92.76;

COD ID: 2003003
CIF file Original IUCr paper	Formula: ? Comments: Steiner, T.; Saenger, W. Channel-Type Crystal Packing in the Very Rare Space Group <i>P</i>42~1~2 with <i>Z</i>' = 3/4: Crystal Structure of the Complex γ-Cyclodextrin‒Methanol‒<i>n</i>-Hydrate Acta Crystallographica Section B 54(4) (1998) 450-455 Space group: P 4 21 2 Cell volume: 13116 Cell parameters: 23.808; 23.808; 23.14; 90; 90; 90;

COD ID: 2003005
CIF file Original IUCr paper	Formula: - Ag7 P Se6 - Comments: Evain, M.; Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F. Structures and Phase Transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) Argyrodite-Type Ionic Conductors. I. Ag~7~PSe~6~ Acta Crystallographica Section B 54(4) (1998) 376-383 Space group: P 21 3 Cell volume: 1249.9 Cell parameters: 10.772; 10.772; 10.772; 90; 90; 90;

COD ID: 2003006
CIF file Original IUCr paper	Formula: - Ag7 P Se6 - Comments: Evain, M.; Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F. Structures and Phase Transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) Argyrodite-Type Ionic Conductors. I. Ag~7~PSe~6~ Acta Crystallographica Section B 54(4) (1998) 376-383 Space group: P -4 3 m Cell volume: 1273.1 Cell parameters: 10.838; 10.838; 10.838; 90; 90; 90;

COD ID: 2003007
CIF file Original IUCr paper	Formula: - D2 O4 P Tl - Comments: Ríos, Susana; Paulus, Werner; Cousson, Alain; Quilichini, Marguerite; Heger, Gernot Isotope Effect in TlH~2~PO~4~ and TlD~2~PO~4~ Acta Crystallographica Section B 54(6) (1998) 790-797 Space group: P 1 1 21/b Cell volume: 855.8 Cell parameters: 9.07; 15; 6.575; 90; 90; 106.92;

COD ID: 2003012
CIF file	Formula: - K Nb5 O15 Pb2 - Comments: Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~ Acta Crystallographica Section B 55(4) (1999) 459-466 Space group: P 4/mbm Cell volume: 632.5 Cell parameters: 12.646; 12.646; 3.9551; 90; 90; 90;

COD ID: 2003013
CIF file	Formula: - K Nb5 O15 Pb2 - Comments: Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~ Acta Crystallographica Section B 55(4) (1999) 459-466 Space group: P 4/mbm Cell volume: 632.5 Cell parameters: 12.646; 12.646; 3.9551; 90; 90; 90;

COD ID: 2003014
CIF file	Formula: - K Nb5 O15 Pb2 - Comments: Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~ Acta Crystallographica Section B 55(4) (1999) 459-466 Space group: C m 2 m Cell volume: 1255.82 Cell parameters: 17.779; 18.015; 3.9209; 90; 90; 90;

COD ID: 2003015
CIF file	Formula: - K Nb5 O15 Pb2 - Comments: Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~ Acta Crystallographica Section B 55(4) (1999) 459-466 Space group: C m 2 m Cell volume: 1252.3 Cell parameters: 17.756; 18.019; 3.9141; 90; 90; 90;

COD ID: 2003016

Formula: - C6 H14 I2 N2 O2 Zn -
Comments: Edwards, R. A.; Easteal, A. J.; Gladkikh, O. P.; Robinson, W. T.; Turnbull, M. M.; Wilkins, C. J. A Reversible Non-disruptive Phase Transition Shown by the Zinc Iodide Dimethylformamide Complex ZnI~2~(dmf)~2~ Acta Crystallographica Section B 54(5) (1998) 663-670
Space group: C 1 2/c 1
Cell volume: 2824
Cell parameters: 14.005; 13.697; 15.755; 90; 110.88; 90;

COD ID: 2003017

Formula: - C6 H14 I2 N2 O2 Zn -
Comments: Edwards, R. A.; Easteal, A. J.; Gladkikh, O. P.; Robinson, W. T.; Turnbull, M. M.; Wilkins, C. J. A Reversible Non-disruptive Phase Transition Shown by the Zinc Iodide Dimethylformamide Complex ZnI~2~(dmf)~2~ Acta Crystallographica Section B 54(5) (1998) 663-670
Space group: P 1 21/n 1
Cell volume: 2731.2
Cell parameters: 13.819; 13.543; 15.559; 90; 110.29; 90;

COD ID: 2003018

Formula: - C4 H6 N2 O2 -
Comments: Lenstra; Bracke; Van Dijk; Maes; Vanhulle; Desseyn Net Intensities: Accuracy Improvement Through a Bayesian Perspective on the Measuring Strategy and Their Persistent Lack of Precision. An Illustration Acta Crystallographica Section B 54(6) (1998) 851-858
Space group: P 1 21/c 1
Cell volume: 493.4
Cell parameters: 5.941; 10.08; 8.282; 90; 95.87; 90;

COD ID: 2003019
CIF file Original IUCr paper	Formula: - C21 H15 Bi O6 - Comments: Rae, A. D.; Gainsford, G. J.; Kemmitt, T. Disordered Structure of Polymeric Bismuth Tribenzoate, [Bi(C~6~H~5~COO)~3~]~<i>n~</i> Acta Crystallographica Section B 54(4) (1998) 438-442 Space group: P 1 21/m 1 Cell volume: 1905.9 Cell parameters: 7.858; 14.442; 16.807; 90; 92.26; 90;

COD ID: 2003020
CIF file Original IUCr paper	Formula: - B2 Ba O2 - Comments: Xue, D. F.; Zhang, S. Y. Structure and Non-linear Optical Properties of β -Barium Borate Acta Crystallographica Section B 54(5) (1998) 652-656 Space group: R 3 Cell volume: 1729.64 Cell parameters: 12.532; 12.532; 12.717; 90; 90; 120;

COD ID: 2003024
CIF file Original IUCr paper	Formula: - C14 H10 N2 O2 - Comments: Becker, Dan; Botoshansky, Mark; Gasper, Noga; Herbstein, Frank H.; Karni, Miriam 2-Phenyl-4-hydroxyphthalazin-1-one: A Benzoannelated Derivative of Maleic Hydrazide Acta Crystallographica Section B 54(5) (1998) 671-676 Space group: P 1 21/a 1 Cell volume: 2340.5 Cell parameters: 12.083; 18.854; 10.76; 90; 107.29; 90;

COD ID: 2003025
CIF file Original IUCr paper	Formula: - Fe H2 O5 Se - Comments: Aleksovska, S.; Petrusevski, V. M.; Soptrajanov, B. Calculation of Structural Parameters in Isostructural Series: the Kieserite Group Acta Crystallographica Section B 54(5) (1998) 564-567 Space group: C 1 2/c 1 Cell volume: 398 Cell parameters: 7.14; 8.05; 7.84; 90; 118.1; 90;

COD ID: 2003026
CIF file Original IUCr paper	Formula: - K2 O5 Si2 - Comments: de Jong, B. H. W. S.; Supèr, H. T. J.; Spek, A. L.; Veldman, N.; Nachtegaal, G.; Fischer, J. C. Mixed Alkali Systems: Structure and ^29^Si MASNMR of Li~2~Si~2~O~5~ and K~2~Si~2~O~5~ Acta Crystallographica Section B 54(5) (1998) 568-577 Space group: C 1 c 1 Cell volume: 1636.4 Cell parameters: 16.3224; 11.243; 9.919; 90; 115.972; 90;

COD ID: 2003027
CIF file Original IUCr paper	Formula: - Li2 O5 Si2 - Comments: de Jong, B. H. W. S.; Supèr, H. T. J.; Spek, A. L.; Veldman, N.; Nachtegaal, G.; Fischer, J. C. Mixed Alkali Systems: Structure and ^29^Si MASNMR of Li~2~Si~2~O~5~ and K~2~Si~2~O~5~ Acta Crystallographica Section B 54(5) (1998) 568-577 Space group: C c c 2 Cell volume: 404.2 Cell parameters: 5.807; 14.582; 4.773; 90; 90; 90;

COD ID: 2003028
CIF file Original IUCr paper	Formula: - C44 H60 Zr - Comments: Tedesco, C.; Immirzi, A.; Proto, A. Structures of Homoleptic Benzyl Derviatives of Zirconium Acta Crystallographica Section B 54(4) (1998) 431-437 Space group: I -4 Cell volume: 1936.9 Cell parameters: 16.481; 16.481; 7.131; 90; 90; 90;

COD ID: 2003029
CIF file Original IUCr paper	Formula: - C28 H28 Zr - Comments: Tedesco, C.; Immirzi, A.; Proto, A. Structures of Homoleptic Benzyl Derviatives of Zirconium Acta Crystallographica Section B 54(4) (1998) 431-437 Space group: P b c a Cell volume: 4514 Cell parameters: 16.387; 20.022; 13.758; 90; 90; 90;

COD ID: 2003030
CIF file Original IUCr paper	Formula: - C16 H12 N2 - Comments: Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Piantanida, Ivo Crystal and molecular structures of diazapyrenes and a study of π···π interactions Acta Crystallographica Section B 55(1) (1999) 55-69 Space group: P 1 21/c 1 Cell volume: 560.1 Cell parameters: 4.0246; 15.5147; 9.1453; 90; 101.23; 90;

COD ID: 2003031
CIF file Original IUCr paper	Formula: - C16 H12 N2 - Comments: Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Piantanida, Ivo Crystal and molecular structures of diazapyrenes and a study of π···π interactions Acta Crystallographica Section B 55(1) (1999) 55-69 Space group: C 1 2/m 1 Cell volume: 564.09 Cell parameters: 12.4968; 11.4751; 3.9615; 90; 96.8; 90;

COD ID: 2003032

Formula: - C20.36 H23.72 Cl2 N3 O3.68 -
Comments: Pani, M.; Carnasciali, M. M.; Mugnoli, A.; Beltrame, P.; Cadoni, E.; Gelli, G. Energetic Study of the Disordered Solvent in the Crystal Structure of an Isoxazole Derivative Acta Crystallographica Section B 54(6) (1998) 872-876
Space group: P 1 21/c 1
Cell volume: 2309
Cell parameters: 8.23; 35.82; 8.042; 90; 103.11; 90;

COD ID: 2003033
CIF file Original IUCr paper	Formula: - C51 H98 O6 - Comments: A.J. van Langevelde Structure of mono-acid even-numbered β-triacylglycerols Acta Crystallographica Section B 55(1) (1999) 114-122 Space group: P -1 Cell volume: 2581.1 Cell parameters: 5.4514; 11.945; 40.482; 84.662; 86.97; 79.77;

COD ID: 2003035
CIF file Original IUCr paper	Formula: - C4 H9 N O4 - Comments: Kashino, Setsuo; Taka, Jun-ichiro; Yoshida, Tadanori; Kubozono, Yoshihiro; Ishida, Hiroyuki; Maeda, Hironobu Structure of Ammonium Hydrogen Succinate at 80 and 20 K Acta Crystallographica Section B 54(6) (1998) 889-894 Space group: P -1 Cell volume: 301.17 Cell parameters: 7.456; 8.813; 4.6806; 91.74; 92.85; 101.11;

COD ID: 2003036
CIF file Original IUCr paper	Formula: - C4 H9 N O4 - Comments: Kashino, Setsuo; Taka, Jun-ichiro; Yoshida, Tadanori; Kubozono, Yoshihiro; Ishida, Hiroyuki; Maeda, Hironobu Structure of Ammonium Hydrogen Succinate at 80 and 20 K Acta Crystallographica Section B 54(6) (1998) 889-894 Space group: P -1 Cell volume: 300.74 Cell parameters: 7.46; 8.805; 4.6768; 91.84; 92.73; 101.2;

COD ID: 2003037

Formula: - C22 H28 O -
Comments: Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S. Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones Acta Crystallographica Section B 54(6) (1998) 895-906
Space group: P 1 21/n 1
Cell volume: 1977.5
Cell parameters: 13.293; 16.657; 8.944; 90; 93.09; 90;

COD ID: 2003038

Formula: - C23 H30 O2 -
Comments: Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S. Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones Acta Crystallographica Section B 54(6) (1998) 895-906
Space group: P 1 21/n 1
Cell volume: 2089.2
Cell parameters: 10.765; 17.292; 11.228; 90; 91.61; 90;

COD ID: 2003039

Formula: - C23 H27 Cl O2 -
Comments: Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S. Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones Acta Crystallographica Section B 54(6) (1998) 895-906
Space group: P 1 21/c 1
Cell volume: 2119.4
Cell parameters: 10.915; 17.606; 11.629; 90; 108.49; 90;

COD ID: 2003040

Formula: - C24 H30 O3 -
Comments: Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S. Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones Acta Crystallographica Section B 54(6) (1998) 895-906
Space group: P 1 21/n 1
Cell volume: 2214.2
Cell parameters: 11.274; 13.348; 14.786; 90; 95.67; 90;

COD ID: 2003041

Formula: - C23 H30 O -
Comments: Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S. Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones Acta Crystallographica Section B 54(6) (1998) 895-906
Space group: P 1 21/n 1
Cell volume: 2090.7
Cell parameters: 10.789; 14.804; 13.528; 90; 104.62; 90;

COD ID: 2003042

Formula: - C26 H36 O -
Comments: Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S. Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones Acta Crystallographica Section B 54(6) (1998) 895-906
Space group: P 1 21/n 1
Cell volume: 2356.8
Cell parameters: 10.033; 22.856; 11.227; 90; 113.73; 90;

COD ID: 2003043

Formula: - C23 H30 O2 -
Comments: Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S. Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones Acta Crystallographica Section B 54(6) (1998) 895-906
Space group: P 1 21/c 1
Cell volume: 2102.1
Cell parameters: 9.312; 12.005; 18.804; 90; 90; 90;

COD ID: 2003044
CIF file Original IUCr paper	Formula: - C23 H28 O3 - Comments: Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S. Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones Acta Crystallographica Section B 54(6) (1998) 895-906 Space group: P -1 Cell volume: 1058.3 Cell parameters: 11.71; 15.01; 6.224; 95.55; 97.05; 77.79;

COD ID: 2003045

Formula: - C23 H27 Cl O2 -
Comments: Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S. Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones Acta Crystallographica Section B 54(6) (1998) 895-906
Space group: P c a b
Cell volume: 4214.4
Cell parameters: 17.466; 20.537; 11.749; 90; 90; 90;

COD ID: 2003046
CIF file Original IUCr paper	Formula: - C24 H30 O3 - Comments: Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S. Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones Acta Crystallographica Section B 54(6) (1998) 895-906 Space group: P -1 Cell volume: 1064.5 Cell parameters: 8.679; 20.893; 6.16; 93.96; 103.14; 78.22;

COD ID: 2003047
CIF file Original IUCr paper	Formula: - C25 H32 O3 - Comments: Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S. Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones Acta Crystallographica Section B 54(6) (1998) 895-906 Space group: P -1 Cell volume: 1171.6 Cell parameters: 10.83; 12.717; 9.379; 104.53; 99.15; 105.14;

COD ID: 2003048

Formula: - C33 H39 N O4 -
Comments: Hosomi, H.; Ito, Y.; Ohba, S. Crystal-to-Crystal Diastereoselective Transformation of 2,4,6-Triisopropyl-4'-(S)-phenylalaninocarbonylbenzophenone Methyl Ester Acta Crystallographica Section B 54(6) (1998) 907-911
Space group: P 21 21 21
Cell volume: 3051.6
Cell parameters: 10.798; 30.042; 9.407; 90; 90; 90;

COD ID: 2003049

Formula: - C33 H39 N O4 -
Comments: Hosomi, H.; Ito, Y.; Ohba, S. Crystal-to-Crystal Diastereoselective Transformation of 2,4,6-Triisopropyl-4'-(S)-phenylalaninocarbonylbenzophenone Methyl Ester Acta Crystallographica Section B 54(6) (1998) 907-911
Space group: P 21 21 21
Cell volume: 3032
Cell parameters: 11.525; 28.238; 9.317; 90; 90; 90;

COD ID: 2003050

Formula: - C24 H30 O3 -
Comments: Hosomi, H.; Ito, Y.; Ohba, S. Crystal-to-Crystal Diastereoselective Transformation of 2,4,6-Triisopropyl-4'-(S)-phenylalaninocarbonylbenzophenone Methyl Ester Acta Crystallographica Section B 54(6) (1998) 907-911
Space group: P 21 n b
Cell volume: 2186.9
Cell parameters: 11.691; 17.51; 10.683; 90; 90; 90;

COD ID: 2003051

Formula: - C6 H6 N2 O -
Comments: Yoshihisa Miwa; Takashi Mizuno; Kazunori Tsuchida; Tooru Taga; Yutaka Iwata Experimental charge density and electrostatic potential in nicotinamide Acta Crystallographica Section B 55(1) (1999) 78-84
Space group: P 1 21/c 1
Cell volume: 560.9
Cell parameters: 3.877; 15.6; 9.375; 90; 98.45; 90;

COD ID: 2003054

Formula: - C18 H40 Co K N12 O4 -
Comments: Steve C.F. Au-Yeung Crystal structures of [18]aneN~6~H~2~K[Co(CN)~6~].4H~2~O, [16]aneN~4~H~2~K[Co(CN)~6~] and [12]aneN~4~H~3~[Co(CN)~6~].2H~2~O. Insight into the electrostatic and hydrogen-bonding interaction in self-assembling supercomplexes Acta Crystallographica Section B 55(3) (1999) 389-395
Space group: P -1
Cell volume: 1472
Cell parameters: 10.125; 11.133; 15.014; 73.78; 71.68; 68.87;

COD ID: 2003055

Formula: - C18 H30 Co K N10 -
Comments: Steve C.F. Au-Yeung Crystal structures of [18]aneN~6~H~2~K[Co(CN)~6~].4H~2~O, [16]aneN~4~H~2~K[Co(CN)~6~] and [12]aneN~4~H~3~[Co(CN)~6~].2H~2~O. Insight into the electrostatic and hydrogen-bonding interaction in self-assembling supercomplexes Acta Crystallographica Section B 55(3) (1999) 389-395
Space group: P 1 21/c 1
Cell volume: 2361.9
Cell parameters: 10.675; 10.516; 21.051; 90; 91.89; 90;

COD ID: 2003056

Formula: - C14 H27 Co N10 O2 -
Comments: Steve C.F. Au-Yeung Crystal structures of [18]aneN~6~H~2~K[Co(CN)~6~].4H~2~O, [16]aneN~4~H~2~K[Co(CN)~6~] and [12]aneN~4~H~3~[Co(CN)~6~].2H~2~O. Insight into the electrostatic and hydrogen-bonding interaction in self-assembling supercomplexes Acta Crystallographica Section B 55(3) (1999) 389-395
Space group: P 1
Cell volume: 497.7
Cell parameters: 7.635; 8.202; 9.442; 109.08; 103.46; 107.03;

COD ID: 2003057
CIF file Original IUCr paper	Formula: - C24 H21 O6 P - Comments: Cho, Ching-Sheng; Dr Liau, Wen-Bin; Dr Chen, Leo-Wang Single-crystal structure analysis of a novel aryl phosphinate diglycidyl ether Acta Crystallographica Section B 55(4) (1999) 525-529 Space group: P -1 Cell volume: 1031.2 Cell parameters: 8.507; 10.613; 12.457; 80.05; 71.38; 76.69;

COD ID: 2003058

Formula: - C16 H22 F N2 O -
Comments: Fujiko Iwasaki TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds Acta Crystallographica Section B 55(2) (1999) 231-245
Space group: P b c a
Cell volume: 3178.5
Cell parameters: 20.0097; 15.249; 10.4168; 90; 90; 90;

COD ID: 2003059

Formula: - C16 H22 I N2 O -
Comments: Fujiko Iwasaki TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds Acta Crystallographica Section B 55(2) (1999) 231-245
Space group: P 1 21/c 1
Cell volume: 3467
Cell parameters: 10.98; 38.914; 8.358; 90; 103.88; 90;

COD ID: 2003060

Formula: - C15 H22 N3 O -
Comments: Fujiko Iwasaki TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds Acta Crystallographica Section B 55(2) (1999) 231-245
Space group: P 1 21/c 1
Cell volume: 1482
Cell parameters: 7.977; 20.158; 11.383; 90; 125.95; 90;

COD ID: 2003061

Formula: - C16 H21 Cl2 N2 O -
Comments: Fujiko Iwasaki TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds Acta Crystallographica Section B 55(2) (1999) 231-245
Space group: P b c a
Cell volume: 3451.8
Cell parameters: 14.035; 22.964; 10.71; 90; 90; 90;

COD ID: 2003062

Formula: - C16 H22 Cl N2 O -
Comments: Fujiko Iwasaki TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds Acta Crystallographica Section B 55(2) (1999) 231-245
Space group: P 1 21/c 1
Cell volume: 1588.3
Cell parameters: 5.8845; 24.417; 11.397; 90; 104.09; 90;

COD ID: 2003063

Formula: - C16 H22 Br N2 O -
Comments: Fujiko Iwasaki TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds Acta Crystallographica Section B 55(2) (1999) 231-245
Space group: P 1 21/c 1
Cell volume: 1664.4
Cell parameters: 7.541; 20.848; 10.591; 90; 91.56; 90;

COD ID: 2003064

Formula: - C16 H22 I N2 O -
Comments: Fujiko Iwasaki TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds Acta Crystallographica Section B 55(2) (1999) 231-245
Space group: P 1 21/c 1
Cell volume: 1662.8
Cell parameters: 5.889; 25.851; 11.322; 90; 105.27; 90;

COD ID: 2003065

Formula: - C22 H27 N2 O -
Comments: Fujiko Iwasaki TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds Acta Crystallographica Section B 55(2) (1999) 231-245
Space group: P 1 21/c 1
Cell volume: 1916.5
Cell parameters: 5.955; 28.488; 11.796; 90; 106.72; 90;

COD ID: 2003066
CIF file Original IUCr paper	Formula: - Al5 O12 Y3 - Comments: Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T. Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions Acta Crystallographica Section B 55(3) (1999) 266-272 Space group: I a -3 d Cell volume: 1730.68 Cell parameters: 12.0062; 12.0062; 12.0062; 90; 90; 90;

COD ID: 2003067
CIF file Original IUCr paper	Formula: - Al4 Ga O12 Y3 - Comments: Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T. Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions Acta Crystallographica Section B 55(3) (1999) 266-272 Space group: I a -3 d Cell volume: 1746.73 Cell parameters: 12.0432; 12.0432; 12.0432; 90; 90; 90;

COD ID: 2003068
CIF file Original IUCr paper	Formula: - Al3 Ga2 O12 Y3 - Comments: Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T. Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions Acta Crystallographica Section B 55(3) (1999) 266-272 Space group: I a -3 d Cell volume: 1768.3 Cell parameters: 12.0926; 12.0926; 12.0926; 90; 90; 90;

COD ID: 2003069
CIF file Original IUCr paper	Formula: - Al2 Ga3 O12 Y3 - Comments: Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T. Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions Acta Crystallographica Section B 55(3) (1999) 266-272 Space group: I a -3 d Cell volume: 1795.92 Cell parameters: 12.1552; 12.1552; 12.1552; 90; 90; 90;

COD ID: 2003070
CIF file Original IUCr paper	Formula: - Al Ga4 O12 Y3 - Comments: Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T. Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions Acta Crystallographica Section B 55(3) (1999) 266-272 Space group: I a -3 d Cell volume: 1821.3 Cell parameters: 12.2123; 12.2123; 12.2123; 90; 90; 90;

COD ID: 2003071
CIF file Original IUCr paper	Formula: - O3 Pb Zr - Comments: Yamasaki, K.; Soejima, Y. Superstructure Determination of PbZrO~3~ Acta Crystallographica Section B 54(5) (1998) 524-530 Space group: P b a m Cell volume: 570.2 Cell parameters: 5.8884; 11.771; 8.226; 90; 90; 90;

COD ID: 2003072

Formula: - C41 H42 O34 -
Comments: Luger, Peter; Weber, Manuela; Kashino,Setsuo; Amakura, Yoshiaki; Yoshida, Takashi; Okuda, Takuo; Beurskens, Gezina; Dauter, Zbigniew Structure of the Tannin Geraniin Based on Conventional X-ray Data at 295 K and on Synchrotron Data at 293 and 120 K Acta Crystallographica Section B 54(5) (1998) 687-694
Space group: P 21 21 21
Cell volume: 4388
Cell parameters: 13; 29.1; 11.6; 90; 90; 90;

COD ID: 2003073

Formula: - C41 H42 O34 -
Comments: Luger, Peter; Weber, Manuela; Kashino,Setsuo; Amakura, Yoshiaki; Yoshida, Takashi; Okuda, Takuo; Beurskens, Gezina; Dauter, Zbigniew Structure of the Tannin Geraniin Based on Conventional X-ray Data at 295 K and on Synchrotron Data at 293 and 120 K Acta Crystallographica Section B 54(5) (1998) 687-694
Space group: P 21 21 21
Cell volume: 4342.3
Cell parameters: 12.96; 29.11; 11.51; 90; 90; 90;

COD ID: 2003074

Formula: - C41 H42 O34 -
Comments: Luger, Peter; Weber, Manuela; Kashino,Setsuo; Amakura, Yoshiaki; Yoshida, Takashi; Okuda, Takuo; Beurskens, Gezina; Dauter, Zbigniew Structure of the Tannin Geraniin Based on Conventional X-ray Data at 295 K and on Synchrotron Data at 293 and 120 K Acta Crystallographica Section B 54(5) (1998) 687-694
Space group: P 21 21 21
Cell volume: 4403.6
Cell parameters: 13.055; 29.139; 11.576; 90; 90; 90;

COD ID: 2003075
CIF file Original IUCr paper	Formula: - C40 H42 Ce Mn2 N14 O25 - Comments: D. Ramalakshmi; M. V. Rajasekharan Crystallographic disorder in mixed-valent dioxo-bridged Mn^III,IV^ complexes. [Mn~2~O~2~(bpy)~4~][Ce(NO~3~)~6~].5H~2~O Acta Crystallographica Section B 55(2) (1999) 186-191 Space group: C 1 2/c 1 Cell volume: 5237 Cell parameters: 12.94; 18.06; 22.544; 90; 96.29; 90;

COD ID: 2003076
CIF file Original IUCr paper	Formula: - Bi7 O18 Ta3 - Comments: Ling, C. D.; Schmid, S.; Withers, R. L.; Thompson, J. G.; Ishizawa, N.; Kishimoto, S Solution and refinement of the crystal structure of Bi~7~Ta~3~O~18~ Acta Crystallographica Section B 55(2) (1999) 157-164 Space group: C 1 Cell volume: 1620.8 Cell parameters: 34.005; 7.6024; 6.6358; 90.086; 109.127; 90.043;

COD ID: 2003077
CIF file Original IUCr paper	Formula: - Bi7 O18 Ta3 - Comments: Ling, C. D.; Schmid, S.; Withers, R. L.; Thompson, J. G.; Ishizawa, N.; Kishimoto, S Solution and refinement of the crystal structure of Bi~7~Ta~3~O~18~ Acta Crystallographica Section B 55(2) (1999) 157-164 Space group: C 1 2/m 1 Cell volume: 1620.97 Cell parameters: 34.0084; 7.6069; 6.63644; 90; 109.238; 90;

COD ID: 2003078

Formula: - C19 H9 I O3 -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: P b c a
Cell volume: 3024.9
Cell parameters: 12.934; 14.748; 15.858; 90; 90; 90;

COD ID: 2003079

Formula: - C19 H9 B F4 O3 -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: P b c a
Cell volume: 2998.6
Cell parameters: 12.817; 15.196; 15.396; 90; 90; 90;

COD ID: 2003080

Formula: - C19 H9 As F6 O3 -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: P b c a
Cell volume: 6897
Cell parameters: 13.55; 15.807; 32.201; 90; 90; 90;

COD ID: 2003081

Formula: - C19 H9 F6 O3 P -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: R -3 c :H
Cell volume: 2439.3
Cell parameters: 12.946; 12.946; 16.806; 90; 90; 120;

COD ID: 2003082

Formula: - C19 H10 N2 O9 -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: P 1 21/n 1
Cell volume: 1641.5
Cell parameters: 6.496; 7.653; 33.039; 90; 91.95; 90;

COD ID: 2003083

Formula: - C20 H9 F3 O6 S -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: P 1 21/c 1
Cell volume: 3371.3
Cell parameters: 15.771; 15.473; 15.332; 90; 115.7; 90;

COD ID: 2003084

Formula: - C19 H9 Cl7 Mo3 O3 -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: C 1 2/c 1
Cell volume: 4560.3
Cell parameters: 18.205; 13.54; 18.679; 90; 97.93; 90;

COD ID: 2003085

Formula: - C19 H9 O6 S -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: P -1
Cell volume: 689.8
Cell parameters: 8.63; 8.968; 9.876; 97.91; 102.37; 108.61;

COD ID: 2003086

Formula: - C33 H36 F6 N O3 P -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: P 1 21/n 1
Cell volume: 3065.4
Cell parameters: 12.085; 11.347; 22.93; 90; 102.87; 90;

COD ID: 2003087

Formula: - C31 H33 Cl7 Mo3 O3 -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: P 1 21/n 1
Cell volume: 3502.3
Cell parameters: 17.157; 11.13; 18.456; 90; 96.4; 90;

COD ID: 2003088

Formula: - C19 H9 F6 O3 P -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: R -3 c :H
Cell volume: 2447.1
Cell parameters: 12.964; 12.964; 16.813; 90; 90; 120;

COD ID: 2003089

Formula: - C19 H9 F6 O3 P -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: R -3 c :H
Cell volume: 2464
Cell parameters: 12.997; 12.997; 16.843; 90; 90; 120;

COD ID: 2003090

Formula: - C19 H9 F6 O3 P -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: R -3 c :H
Cell volume: 2473.2
Cell parameters: 13.015; 13.015; 16.859; 90; 90; 120;

COD ID: 2003091

Formula: - C19 H9 F6 O3 P -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: R -3 c :H
Cell volume: 2486.3
Cell parameters: 13.04; 13.04; 16.884; 90; 90; 120;

COD ID: 2003092

Formula: - C19 H9 F6 O3 P -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: R -3 c :H
Cell volume: 2500.5
Cell parameters: 13.067; 13.067; 16.91; 90; 90; 120;

COD ID: 2003093

Formula: - C19 H9 F6 O3 P -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: R -3 c :H
Cell volume: 2514.8
Cell parameters: 13.094; 13.094; 16.937; 90; 90; 120;

COD ID: 2003094

Formula: - C19 H9 F6 O3 P -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: R -3 c :H
Cell volume: 2523.8
Cell parameters: 13.111; 13.111; 16.953; 90; 90; 120;

COD ID: 2003095

Formula: - C19 H9 F6 O3 P -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: R -3 c :H
Cell volume: 2534
Cell parameters: 13.131; 13.131; 16.97; 90; 90; 120;

COD ID: 2003096

Formula: - C19 H9 F6 O3 P -
Comments: Frederik C. Krebs The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions Acta Crystallographica Section B 55(3) (1999) 410-423
Space group: R -3 c :H
Cell volume: 2561.6
Cell parameters: 13.181; 13.181; 17.025; 90; 90; 120;

COD ID: 2003097
CIF file Original IUCr paper	Formula: - Ca15 I O37 P9 - Comments: Alberius Henning, Peter; Lidin, Sven; Petříček, Vačlav Iodo-oxyapatite, the first example from a new class of modulated apatites Acta Crystallographica Section B 55(2) (1999) 165-169 Space group: P 63/m Cell volume: 1645.1 Cell parameters: 9.567; 9.567; 20.754; 90; 90; 120;

COD ID: 2003098

Formula: - C9 H20 N2 O4 -
Comments: Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in crystalline 1:1 complexes of hydrophobic D- and L-amino acids. I. The L-isoleucine series Acta Crystallographica Section B 55(3) (1999) 424-431
Space group: P 1 21 1
Cell volume: 604.48
Cell parameters: 9.8944; 4.7425; 12.9045; 90; 93.374; 90;

COD ID: 2003099

Formula: - C10 H22 N2 O4 -
Comments: Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in crystalline 1:1 complexes of hydrophobic D- and L-amino acids. I. The L-isoleucine series Acta Crystallographica Section B 55(3) (1999) 424-431
Space group: C 1 2 1
Cell volume: 1272.64
Cell parameters: 26.9873; 4.7471; 9.9652; 90; 94.546; 90;

COD ID: 2003100

Formula: - C11 H24 N2 O4 -
Comments: Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in crystalline 1:1 complexes of hydrophobic D- and L-amino acids. I. The L-isoleucine series Acta Crystallographica Section B 55(3) (1999) 424-431
Space group: C 1 2 1
Cell volume: 1346.42
Cell parameters: 29.0557; 4.7551; 9.9398; 90; 101.358; 90;

COD ID: 2003101

Formula: - C12 H26 N2 O4 -
Comments: Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in crystalline 1:1 complexes of hydrophobic D- and L-amino acids. I. The L-isoleucine series Acta Crystallographica Section B 55(3) (1999) 424-431
Space group: P 1 21 1
Cell volume: 1419
Cell parameters: 10.012; 4.7227; 30.335; 90; 98.38; 90;

COD ID: 2003102

Formula: - C11 H24 N2 O4 S -
Comments: Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in crystalline 1:1 complexes of hydrophobic D- and L-amino acids. I. The L-isoleucine series Acta Crystallographica Section B 55(3) (1999) 424-431
Space group: C 1 2 1
Cell volume: 1441.69
Cell parameters: 31.7681; 4.717; 10.0043; 90; 105.914; 90;

COD ID: 2003103

Formula: - C11 H24 N2 O4 -
Comments: Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in crystalline 1:1 complexes of hydrophobic D- and L-amino acids. I. The L-isoleucine series Acta Crystallographica Section B 55(3) (1999) 424-431
Space group: P 1 21 1
Cell volume: 639.84
Cell parameters: 5.2528; 23.9809; 5.42; 90; 110.42; 90;

COD ID: 2003104

Formula: - C12 H26 N2 O4 -
Comments: Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in crystalline 1:1 complexes of hydrophobic D- and L-amino acids. I. The L-isoleucine series Acta Crystallographica Section B 55(3) (1999) 424-431
Space group: P 1
Cell volume: 355.16
Cell parameters: 5.1933; 5.4064; 13.6968; 91.516; 98.603; 110.376;

COD ID: 2003105
CIF file Original IUCr paper	Formula: - Bi14 O24 W - Comments: Ling, C. D.; Withers, R. L.; Thompson, J. G.; Schmid, S. Structures of Bi~14~WO~24~ and Bi~14~MoO~24~ from neutron powder diffraction data Acta Crystallographica Section B 55(3) (1999) 306-312 Space group: I 4/m Cell volume: 1314.37 Cell parameters: 8.71083; 8.71083; 17.32202; 90; 90; 90;

COD ID: 2003106
CIF file Original IUCr paper	Formula: - Bi14 Mo O24 - Comments: Ling, C. D.; Withers, R. L.; Thompson, J. G.; Schmid, S. Structures of Bi~14~WO~24~ and Bi~14~MoO~24~ from neutron powder diffraction data Acta Crystallographica Section B 55(3) (1999) 306-312 Space group: I 4/m Cell volume: 1313.2 Cell parameters: 8.70839; 8.70839; 17.31634; 90; 90; 90;

COD ID: 2003108
CIF file Original IUCr paper	Formula: - Cl4 Cs2 Hg - Comments: Bagautdinov, B.; Luedecke, J.; Schneider, M.; van Smaalen, S. Disorder in the Crystal Structure of Cs~2~HgCl~4~ Studied by the Maximum Entropy Method Acta Crystallographica Section B 54(5) (1998) 626-634 Space group: P n m a Cell volume: 1001.15 Cell parameters: 9.8136; 7.6018; 13.4201; 90; 90; 90;

COD ID: 2003109
CIF file Original IUCr paper	Formula: - C10 H15 Li - Comments: Robert E. Dinnebier Disorder determined by high-resolution powder diffraction: structure of pentamethylcyclopentadienyllithium Acta Crystallographica Section B 55(1) (1999) 35-44 Space group: R 3 m Cell volume: 722.19 Cell parameters: 14.7711; 14.7711; 3.82206; 90; 90; 120;

COD ID: 2003110

Formula: - C15 H28 N4 O4 -
Comments: Marc Hostettler; Henrik Birkedal; Manual Gardon; Gervais Chapuis; Dieter Schwarzenbach; Michel Bonin Phase-transition-induced twinning in the 1:1 adduct of hexamethylenetetramine and azelaic acid Acta Crystallographica Section B 55(3) (1999) 448-458
Space group: P 1 21/c 1
Cell volume: 1753.8
Cell parameters: 5.8907; 26.071; 11.8868; 90; 106.118; 90;

COD ID: 2003111
CIF file Original IUCr paper	Formula: - Al2 F2 O4 Si - Comments: Ivanov, Yu.V.; Belokoneva, E.L.; Protas, J.; Hansen, N.K.; Tsirelson, V.G. Multipole Analysis of the Electron Density in Topaz Using X-ray Diffraction Data Acta Crystallographica Section B 54(6) (1998) 774-781 Space group: P b n m Cell volume: 343.97 Cell parameters: 4.6511; 8.802; 8.402; 90; 90; 90;

COD ID: 2003112

Formula: - C H4 N2 O -
Comments: Zavodnik, Valery; Stash, Adam; Tsirelson, Vladimir; de Vries, Roelof; Feil, Dirk Electron density study of urea using TDS-corrected X-ray diffraction data: quantitative comparison of experimental and theoretical results Acta Crystallographica Section B 55(1) (1999) 45-54
Space group: P -4 21 m
Cell volume: 146.65
Cell parameters: 5.589; 5.589; 4.6947; 90; 90; 90;

COD ID: 2003113

Formula: - C H8 N O4 P -
Comments: Antonia Neels; Helen Stoeckli-Evans; Jochen Neels; Abraham Clearfield; Damodara Poojary Ab Initio Structure Determination of Ammonium Hydrogen Alkyl Phosphates from X-ray Powder Diffraction Data Acta Crystallographica Section B 54(4) (1998) 478-484
Space group: P 1 21/c 1
Cell volume: 561.13
Cell parameters: 9.9645; 7.1801; 7.8897; 90; 96.243; 90;

COD ID: 2003114

Formula: - C2 H10 N O4 P -
Comments: Antonia Neels; Helen Stoeckli-Evans; Jochen Neels; Abraham Clearfield; Damodara Poojary Ab Initio Structure Determination of Ammonium Hydrogen Alkyl Phosphates from X-ray Powder Diffraction Data Acta Crystallographica Section B 54(4) (1998) 478-484
Space group: P 1 21/c 1
Cell volume: 682.19
Cell parameters: 12.6453; 7.1502; 7.9738; 90; 108.875; 90;

COD ID: 2003115

Formula: - C3 H12 N O4 P -
Comments: Antonia Neels; Helen Stoeckli-Evans; Jochen Neels; Abraham Clearfield; Damodara Poojary Ab Initio Structure Determination of Ammonium Hydrogen Alkyl Phosphates from X-ray Powder Diffraction Data Acta Crystallographica Section B 54(4) (1998) 478-484
Space group: P 1 n 1
Cell volume: 834.66
Cell parameters: 6.2475; 29.3825; 4.6305; 90; 100.904; 90;

COD ID: 2003116
CIF file Original IUCr paper	Formula: - C19 Er10 Ru10 - Comments: Hoffmann, R.-D.; Jeitschko, W. The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~ Acta Crystallographica Section B 54(6) (1998) 834-850 Space group: A m m 2 Cell volume: 490.23 Cell parameters: 3.6097; 18.632; 7.289; 90; 90; 90;

COD ID: 2003117
CIF file Original IUCr paper	Formula: - C19 Er10 Ru10 - Comments: Hoffmann, R.-D.; Jeitschko, W. The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~ Acta Crystallographica Section B 54(6) (1998) 834-850 Space group: A m m 2 Cell volume: 490.23 Cell parameters: 3.6097; 18.632; 7.289; 90; 90; 90;

COD ID: 2003118
CIF file Original IUCr paper	Formula: - C19 Er10 Ru10 - Comments: Hoffmann, R.-D.; Jeitschko, W. The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~ Acta Crystallographica Section B 54(6) (1998) 834-850 Space group: C 1 m 1 Cell volume: 980.5 Cell parameters: 14.578; 7.2194; 10.004; 90; 111.36; 90;

COD ID: 2003119
CIF file Original IUCr paper	Formula: - C19 Er10 Ru10 - Comments: Hoffmann, R.-D.; Jeitschko, W. The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~ Acta Crystallographica Section B 54(6) (1998) 834-850 Space group: A m m 2 Cell volume: 3921.6 Cell parameters: 37.264; 7.219; 14.578; 90; 90; 90;

COD ID: 2003120
CIF file Original IUCr paper	Formula: - As F6 K - Comments: Peterková, J.; Dusek, M.; Petrícek, V.; Loub, J. Structures of Fluoroarsenates KAsF~6<i>n~</i>(OH)~<i>n~</i>, <i>n</i> = 0, 1, 2: Application of the Heavy-Atom Method for Modulated Structures Acta Crystallographica Section B 54(6) (1998) 809-818 Space group: P -3 Cell volume: 340.1 Cell parameters: 7.348; 7.348; 7.274; 90; 90; 120;

COD ID: 2003121
CIF file Original IUCr paper	Formula: - As F5 H K O - Comments: Peterková, J.; Dusek, M.; Petrícek, V.; Loub, J. Structures of Fluoroarsenates KAsF~6<i>n~</i>(OH)~<i>n~</i>, <i>n</i> = 0, 1, 2: Application of the Heavy-Atom Method for Modulated Structures Acta Crystallographica Section B 54(6) (1998) 809-818 Space group: P n a b Cell volume: 2999.2 Cell parameters: 9.391; 11.336; 28.173; 90; 90; 90;

COD ID: 2003122

Formula: - As F4 H2 K O2 -
Comments: Peterková, J.; Dusek, M.; Petrícek, V.; Loub, J. Structures of Fluoroarsenates KAsF~6n~(OH)~n~, n = 0, 1, 2: Application of the Heavy-Atom Method for Modulated Structures Acta Crystallographica Section B 54(6) (1998) 809-818
Space group: C 1 2/c 1
Cell volume: 484.8
Cell parameters: 4.818; 16.001; 6.374; 90; 99.36; 90;

COD ID: 2003124

Formula: - Fe Nd O3 -
Comments: Streltsov, V. A.; Ishizawa, N. Synchrotron X-ray study of the electron density in RFeO~3~ (R = Nd, Dy) Acta Crystallographica Section B 55(1) (1999) 1-7
Space group: P n m a
Cell volume: 236.37
Cell parameters: 5.5887; 7.7619; 5.4489; 90; 90; 90;

COD ID: 2003125

Formula: - Dy Fe O3 -
Comments: Streltsov, V. A.; Ishizawa, N. Synchrotron X-ray study of the electron density in RFeO~3~ (R = Nd, Dy) Acta Crystallographica Section B 55(1) (1999) 1-7
Space group: P n m a
Cell volume: 226.29
Cell parameters: 5.5957; 7.629; 5.3009; 90; 90; 90;

COD ID: 2003129

Formula: - Al Li O6 Si2 -
Comments: Kuntzinger, Sandrine; Ghermani, Nour Eddine Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data Acta Crystallographica Section B 55(3) (1999) 273-284
Space group: C 1 2/c 1
Cell volume: 389.12
Cell parameters: 9.462; 8.392; 5.221; 90; 110.18; 90;

COD ID: 2003130

Formula: - Al Li O6 Si2 -
Comments: Kuntzinger, Sandrine; Ghermani, Nour Eddine Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data Acta Crystallographica Section B 55(3) (1999) 273-284
Space group: C 1 2/c 1
Cell volume: 388.35
Cell parameters: 9.456; 8.386; 5.216; 90; 110.13; 90;

COD ID: 2003133

Formula: - C5 H5 Cl4 Hg N -
Comments: Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick Polynuclear chloromercurate(II) systems in their chloropyridinium salts Acta Crystallographica Section B 55(3) (1999) 396-409
Space group: P 1 21/n 1
Cell volume: 2045
Cell parameters: 9.094; 18.143; 12.902; 90; 106.13; 90;

COD ID: 2003134

Formula: - C20 H20 Cl14 Hg3 N4 -
Comments: Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick Polynuclear chloromercurate(II) systems in their chloropyridinium salts Acta Crystallographica Section B 55(3) (1999) 396-409
Space group: P 1 21/n 1
Cell volume: 1860.6
Cell parameters: 7.522; 28.046; 9.165; 90; 105.78; 90;

COD ID: 2003135
CIF file Original IUCr paper	Formula: - C20 H20 Cl14 Hg3 N4 - Comments: Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick Polynuclear chloromercurate(II) systems in their chloropyridinium salts Acta Crystallographica Section B 55(3) (1999) 396-409 Space group: P -1 Cell volume: 916.2 Cell parameters: 9.907; 13.226; 7.282; 84.41; 74.81; 87.34;

COD ID: 2003136

Formula: - C5 H5 Cl4 Hg N -
Comments: Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick Polynuclear chloromercurate(II) systems in their chloropyridinium salts Acta Crystallographica Section B 55(3) (1999) 396-409
Space group: P 1 21/c 1
Cell volume: 1948.9
Cell parameters: 7.243; 22.145; 12.32; 90; 99.52; 90;

COD ID: 2003137

Formula: - C10 H10 Cl8 Hg2 N2 -
Comments: Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick Polynuclear chloromercurate(II) systems in their chloropyridinium salts Acta Crystallographica Section B 55(3) (1999) 396-409
Space group: C 1 2/m 1
Cell volume: 998.3
Cell parameters: 13.447; 7.534; 9.939; 90; 97.48; 90;

COD ID: 2003150
CIF file Original IUCr paper	Formula: - Cl4 Co H22 N7 O8 - Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B 54(5) (1998) 613-625 Space group: R -3 m :H Cell volume: 1175.7 Cell parameters: 7.072; 7.072; 27.144; 90; 90; 120;

COD ID: 2003151
CIF file Original IUCr paper	Formula: - Cl4 Co H22 N7 O8 - Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B 54(5) (1998) 613-625 Space group: R -3 :H Cell volume: 1153.4 Cell parameters: 7.025; 7.025; 26.988; 90; 90; 120;

COD ID: 2003152

Formula: - Cl4 Co Cs H18 N6 O8 -
Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625
Space group: R -3 m :H
Cell volume: 1230.7
Cell parameters: 7.239; 7.239; 27.119; 90; 90; 120;

COD ID: 2003153
CIF file Original IUCr paper	Formula: - Cl4 H22 N7 O8 Ru - Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B 54(5) (1998) 613-625 Space group: R -3 m :H Cell volume: 1213 Cell parameters: 7.129; 7.129; 27.56; 90; 90; 120;

COD ID: 2003154
CIF file Original IUCr paper	Formula: - Cl4 H18 K N6 O8 Ru - Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B 54(5) (1998) 613-625 Space group: R -3 m :H Cell volume: 1179 Cell parameters: 7.027; 7.027; 27.57; 90; 90; 120;

COD ID: 2003155

Formula: - Cl4 H18 K N6 O8 Ru -
Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625
Space group: R -3 m :H
Cell volume: 1148.3
Cell parameters: 6.965; 6.965; 27.333; 90; 90; 120;

COD ID: 2003156

Formula: - Cl4 H18 N6 O8 Rb Ru -
Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625
Space group: R -3 m :H
Cell volume: 1218.2
Cell parameters: 7.1392; 7.1392; 27.599; 90; 90; 120;

COD ID: 2003157
CIF file Original IUCr paper	Formula: - Cl4 H18 N6 O8 Rb Ru - Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B 54(5) (1998) 613-625 Space group: R -3 :H Cell volume: 1197.9 Cell parameters: 7.104; 7.104; 27.408; 90; 90; 120;

COD ID: 2003158
CIF file Original IUCr paper	Formula: - Cl4 H18 N6 O8 Rb Ru - Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B 54(5) (1998) 613-625 Space group: R -3 :H Cell volume: 1190.7 Cell parameters: 7.09; 7.09; 27.351; 90; 90; 120;

COD ID: 2003159

Formula: - Cl4 Cs H18 N6 O8 Ru -
Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625
Space group: R -3 m :H
Cell volume: 1273.6
Cell parameters: 7.311; 7.311; 27.513; 90; 90; 120;

COD ID: 2003160
CIF file Original IUCr paper	Formula: - Cl4 Cs H18 N6 O8 Ru - Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B 54(5) (1998) 613-625 Space group: R -3 :H Cell volume: 1255.6 Cell parameters: 7.29; 7.29; 27.282; 90; 90; 120;

COD ID: 2003161

Formula: - Cl4 Cr Cs H18 N6 O8 -
Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625
Space group: R -3 m :H
Cell volume: 1281.7
Cell parameters: 7.323; 7.323; 27.599; 90; 90; 120;

COD ID: 2003162
CIF file Original IUCr paper	Formula: - Cl4 Cr Cs H18 N6 O8 - Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~ Acta Crystallographica Section B 54(5) (1998) 613-625 Space group: R -3 :H Cell volume: 1258.3 Cell parameters: 7.294; 7.294; 27.311; 90; 90; 120;

COD ID: 2003163

Formula: - Br2 Cl2 Cr Cs H18 N6 O8 -
Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625
Space group: R -3 m :H
Cell volume: 1322.1
Cell parameters: 7.413; 7.413; 27.78; 90; 90; 120;

COD ID: 2003164

Formula: - Br2 Cl2 Cr Cs H18 N6 O8 -
Comments: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A. Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts M^I^[M^III^(NH~3~)~6~](ClO~4~)~2~X~2~ Acta Crystallographica Section B 54(5) (1998) 613-625
Space group: R -3 :H
Cell volume: 1296.9
Cell parameters: 7.369; 7.369; 27.578; 90; 90; 120;

COD ID: 2003165

Formula: - C22 H48 Cl2 N6 O8 Zn -
Comments: Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M. Four-component intergrowth structures of the metal-ion cage complexes fac-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)M^II^ diperchlorate hydrate, [M(C~22~H~48~N~6~)](ClO~4~)~2~.xH~2~O, M = Ni, Zn Acta Crystallographica Section B 55(3) (1999) 380-388
Space group: C 1 2/c 1
Cell volume: 3155
Cell parameters: 10.191; 17.678; 17.754; 90; 99.42; 90;

COD ID: 2003166

Formula: - C22 H48 Cl2 N6 Ni O8 -
Comments: Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M. Four-component intergrowth structures of the metal-ion cage complexes fac-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)M^II^ diperchlorate hydrate, [M(C~22~H~48~N~6~)](ClO~4~)~2~.xH~2~O, M = Ni, Zn Acta Crystallographica Section B 55(3) (1999) 380-388
Space group: C 1 2/c 1
Cell volume: 3116.7
Cell parameters: 10.177; 17.648; 17.605; 90; 99.7; 90;

COD ID: 2003173

Formula: - Ca7 O36 Ta6 Zr7 -
Comments: Schmid, Siegbert; Thompson, John G.; Withers, Ray L.; Ling, Christopher D.; Ishizawa, Nobuo; Kishimoto, Shunji The crystal structure of Ca~7~Zr~7~Ta~6~O~36~ refined using synchrotron-radiation data Acta Crystallographica Section B 55(3) (1999) 313-320
Space group: F d d d :2
Cell volume: 8313.6
Cell parameters: 36.394; 7.3674; 31.006; 90; 90; 90;

COD ID: 2100000
CIF file Original IUCr paper	Formula: - C22 H12 Cl2 N6 O4 - Comments: Schmidt, Martin U.; Ermrich, Martin; Dinnebier, Robert E. Determination of the structure of the violet pigment C~22~H~12~Cl~2~N~6~O~4~ from a non-indexed X-ray powder diagram Acta Crystallographica Section B 61(1) (2005) 37-45 Space group: P -1 Cell volume: 471.9 Cell parameters: 4.2753; 8.311; 14.092; 107.23; 93.53; 97.17;

COD ID: 2100001
CIF file Original IUCr paper	Formula: - C22 H12 Cl2 N6 O4 - Comments: Schmidt, Martin U.; Ermrich, Martin; Dinnebier, Robert E. Determination of the structure of the violet pigment C~22~H~12~Cl~2~N~6~O~4~ from a non-indexed X-ray powder diagram Acta Crystallographica Section B 61(1) (2005) 37-45 Space group: P -1 Cell volume: 481.934 Cell parameters: 4.3346; 8.4193; 13.9057; 106.947; 92.9106; 95.118;

COD ID: 2100005

Formula: - C6 H11 N O2 -
Comments: Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid Acta Crystallographica Section B 61(1) (2005) 96-102
Space group: P n 21 a
Cell volume: 647.331
Cell parameters: 10.8548; 9.752; 6.1152; 90; 90; 90;

COD ID: 2100006
CIF file Original IUCr paper	Formula: - C6 H11 N O2 - Comments: Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid Acta Crystallographica Section B 61(1) (2005) 96-102 Space group: P 21 21 21 Cell volume: 662.35 Cell parameters: 11.7537; 10.1013; 5.5787; 90; 90; 90;

COD ID: 2100007

Formula: - C16 H16 N4 -
Comments: Eugenia V. Peresypkina; Mark B. Bushuev; Alexander V. Virovets; Victor P. Krivopalov; Ludmila G. Lavrenova; Stanislav V. Larionov Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1H-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II) Acta Crystallographica Section B 61(2) (2005) 164-173
Space group: P n a 21
Cell volume: 1410.4
Cell parameters: 19.499; 4.7884; 15.106; 90; 90; 90;

COD ID: 2100008

Formula: - C16 H16 Cl2 Cu N4 -
Comments: Peresypkina, Eugenia V.; Bushuev, Mark B.; Virovets, Alexander V.; Krivopalov, Victor P.; Lavrenova, Ludmila G.; Larionov, Stanislav V. Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1H-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II) Acta Crystallographica Section B 61(2) (2005) 164-173
Space group: P 1 21/c 1
Cell volume: 1689.58
Cell parameters: 7.2156; 11.6522; 20.3956; 90; 99.841; 90;

COD ID: 2100009

Formula: - C16 H16 Cl2 Cu N4 -
Comments: Peresypkina, Eugenia V.; Bushuev, Mark B.; Virovets, Alexander V.; Krivopalov, Victor P.; Lavrenova, Ludmila G.; Larionov, Stanislav V. Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1H-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II) Acta Crystallographica Section B 61(2) (2005) 164-173
Space group: P b c a
Cell volume: 3365.2
Cell parameters: 11.6899; 14.9843; 19.2115; 90; 90; 90;

COD ID: 2100010

Formula: - C16 H16 Cl2 Cu N4 -
Comments: Peresypkina, Eugenia V.; Bushuev, Mark B.; Virovets, Alexander V.; Krivopalov, Victor P.; Lavrenova, Ludmila G.; Larionov, Stanislav V. Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1H-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II) Acta Crystallographica Section B 61(2) (2005) 164-173
Space group: P 1 21/n 1
Cell volume: 1704.38
Cell parameters: 9.7652; 18.7631; 9.8115; 90; 108.544; 90;

COD ID: 2100011

Formula: - C14 H10 Cr N2 -
Comments: Khrustalev, Victor N.; Vasil'kov, Alexander Yu.; Antipin, Mikhail Yu. Substituent effects in bis(arene)chromium compounds containing a CN group in the aromatic ring Acta Crystallographica Section B 61(3) (2005) 304-311
Space group: P 1 21/n 1
Cell volume: 1043.92
Cell parameters: 7.73; 12.0887; 11.1762; 90; 91.683; 90;

COD ID: 2100012

Formula: - C14 H13 Cr N -
Comments: Khrustalev, Victor N.; Vasil'kov, Alexander Yu.; Antipin, Mikhail Yu. Substituent effects in bis(arene)chromium compounds containing a CN group in the aromatic ring Acta Crystallographica Section B 61(3) (2005) 304-311
Space group: P b c a
Cell volume: 2131.3
Cell parameters: 12.9628; 12.0803; 13.61; 90; 90; 90;

COD ID: 2100013