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Result : There are 25416 entries in the selection

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Searching journal of publication like 'Journal of the American Chemical Society'

COD ID: 1000044
CIF file	Formula: - Ca O - Comments: Primak, W; Kaufman, H; Ward, R X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors Journal of the American Chemical Society 70 (1948) 2043-2046 Space group: F m -3 m Cell volume: 110.5 Cell parameters: 4.799; 4.799; 4.799; 90; 90; 90;

COD ID: 1008127
CIF file	Formula: - Br D4 N - Comments: Levy, H A; Peterson, S W Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases Journal of the American Chemical Society 75 (1953) 1536-1542 Space group: P -4 3 m Cell volume: 64 Cell parameters: 4; 4; 4; 90; 90; 90;

COD ID: 1008128
CIF file	Formula: - Br D4 N - Comments: Levy, H A; Peterson, S W Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases Journal of the American Chemical Society 75 (1953) 1536-1542 Space group: P m -3 m Cell volume: 66.9 Cell parameters: 4.06; 4.06; 4.06; 90; 90; 90;

COD ID: 1008129
CIF file	Formula: - Br D4 N - Comments: Levy, H A; Peterson, S W Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases Journal of the American Chemical Society 75 (1953) 1536-1542 Space group: P 4/n m m :1 Cell volume: 140.4 Cell parameters: 5.826; 5.826; 4.136; 90; 90; 90;

COD ID: 1008130
CIF file	Formula: - K O4 Ru - Comments: Silverman, M D; Levy, H A Crystal Structure of Potassium Perruthenate, K Ru O~4~ Journal of the American Chemical Society 76 (1954) 3317-3319 Space group: I 41/a :1 Cell volume: 408.7 Cell parameters: 5.609; 5.609; 12.991; 90; 90; 90;

COD ID: 1008156
CIF file	Formula: - F2 Xe - Comments: Levy, H A; Agron, P A The Crystal and Molecular Structure of Xenon Difluoride by Neutron Diffraction Journal of the American Chemical Society 85 (1963) 241-242 Space group: I 4/m m m Cell volume: 130.1 Cell parameters: 4.315; 4.315; 6.99; 90; 90; 90;

COD ID: 1008920
CIF file	Formula: - Br D4 N - Comments: Levy, H A; Peterson, S W Neutron diffraction determination of the crystal structure of ammonium bromide in four phases Journal of the American Chemical Society 75 (1953) 1536-1542 Space group: F m -3 m Cell volume: 328.5 Cell parameters: 6.9; 6.9; 6.9; 90; 90; 90;

COD ID: 1010049
CIF file	Formula: - F7 K2 Nb - Comments: Hoard, J L Structures of complex fluorides. Potassium heptafluocolumbate. The Configuration of the heptafluocolumbate and heptafluortantalate ions Journal of the American Chemical Society 61 (1939) 1252-1259 Space group: P 1 21/c 1 Cell volume: 630 Cell parameters: 5.85; 12.67; 8.5; 90; 90; 90;

COD ID: 1010050
CIF file	Formula: - F7 K2 Ta - Comments: Hoard, J L Structures of complex fluorides. Potassium heptafluocolumbate. The Configuration of the heptafluocolumbate and heptafluortantalate ions Journal of the American Chemical Society 61 (1939) 1252-1259 Space group: P 1 21/c 1 Cell volume: 630 Cell parameters: 5.85; 12.67; 8.5; 90; 90; 90;

COD ID: 1010073
CIF file	Formula: - Cl2 Cs I - Comments: Wyckoff, R W G The Crystal Structure of Cesium Dichloro-Iodide Journal of the American Chemical Society 42 (1920) 1100-1116 Space group: R -3 m :R Cell volume: 64.5 Cell parameters: 4.06; 4.06; 4.06; 98.37; 98.37; 98.37;

COD ID: 1010074
CIF file	Formula: - Br H4 N - Comments: Bartlett, G; Langmuir, I The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature Journal of the American Chemical Society 43 (1921) 84-91 Space group: F m -3 m Cell volume: 328.5 Cell parameters: 6.9; 6.9; 6.9; 90; 90; 90;

COD ID: 1010075
CIF file	Formula: - H4 I N - Comments: Bartlett, G; Langmuir, I The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature Journal of the American Chemical Society 43 (1921) 84-91 Space group: F m -3 m Cell volume: 373.1 Cell parameters: 7.199; 7.199; 7.199; 90; 90; 90;

COD ID: 1010076
CIF file	Formula: - Br Cu - Comments: Wyckoff, R W G; Posnjak, E The Crystal Structures of the Cuprous Halides Journal of the American Chemical Society 44 (1922) 30-36 Space group: F -4 3 m Cell volume: 197.1 Cell parameters: 5.82; 5.82; 5.82; 90; 90; 90;

COD ID: 1010077
CIF file	Formula: - Cl6 K2 Sn - Comments: Dickinson, R G The Crystal Structures of Potassium and Ammonium Chlorostannates Journal of the American Chemical Society 44 (1922) 276-288 Space group: F m -3 m Cell volume: 988 Cell parameters: 9.96; 9.96; 9.96; 90; 90; 90;

COD ID: 1010078
CIF file	Formula: - Cl6 H8 N2 Sn - Comments: Dickinson, R G The Crystal Structures of Potassium and Ammonium Chlorostannates Journal of the American Chemical Society 44 (1922) 276-288 Space group: F m -3 m Cell volume: 1015.1 Cell parameters: 10.05; 10.05; 10.05; 90; 90; 90;

COD ID: 1010079
CIF file	Formula: - K2 N4 Zn - Comments: Dickinson, R G The Crystal Structures of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury Journal of the American Chemical Society 44 (1922) 774-784 Space group: F d -3 m :1 Cell volume: 1971.9 Cell parameters: 12.54; 12.54; 12.54; 90; 90; 90;

COD ID: 1010080
CIF file	Formula: - Cd K2 N4 - Comments: Dickinson, R G The Crystal Structures of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury Journal of the American Chemical Society 44 (1922) 774-784 Space group: F d -3 m :1 Cell volume: 2116.9 Cell parameters: 12.84; 12.84; 12.84; 90; 90; 90;

COD ID: 1010081
CIF file	Formula: - Hg K2 N4 - Comments: Dickinson, R G The Crystal Structure of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury Journal of the American Chemical Society 44 (1922) 774-784 Space group: F d -3 m :1 Cell volume: 2077.6 Cell parameters: 12.76; 12.76; 12.76; 90; 90; 90;

COD ID: 1010082
CIF file	Formula: - Cl4 K2 Pd - Comments: Dickinson, R G The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates Journal of the American Chemical Society 44 (1922) 2404-2411 Space group: P 4/m m m Cell volume: 203.2 Cell parameters: 7.04; 7.04; 4.1; 90; 90; 90;

COD ID: 1010083
CIF file	Formula: - Cl4 K2 Pt - Comments: Dickinson, R G The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates Journal of the American Chemical Society 44 (1922) 2404-2411 Space group: P 4/m m m Cell volume: 201.8 Cell parameters: 6.99; 6.99; 4.13; 90; 90; 90;

COD ID: 1010084
CIF file	Formula: - Cl4 H8 N2 Pd - Comments: Dickinson, R G The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates Journal of the American Chemical Society 44 (1922) 2404-2411 Space group: P 4/m m m Cell volume: 221.5 Cell parameters: 7.21; 7.21; 4.26; 90; 90; 90;

COD ID: 1010085
CIF file	Formula: - F6 Fe H12 N3 - Comments: Pauling, L The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate Journal of the American Chemical Society 46 (1924) 2738-2751 Space group: F -4 3 m Cell volume: 753.6 Cell parameters: 9.1; 9.1; 9.1; 90; 90; 90;

COD ID: 1010086
CIF file	Formula: - Al F6 H12 N3 - Comments: Pauling, L The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate Journal of the American Chemical Society 46 (1924) 2738-2751 Space group: F -4 3 m Cell volume: 592.7 Cell parameters: 8.4; 8.4; 8.4; 90; 90; 90;

COD ID: 1010087
CIF file	Formula: - F3 H12 Mo N3 O3 - Comments: Pauling, L The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate Journal of the American Chemical Society 46 (1924) 2738-2751 Space group: F -4 3 m Cell volume: 753.6 Cell parameters: 9.1; 9.1; 9.1; 90; 90; 90;

COD ID: 1010088
CIF file	Formula: - N3 Na - Comments: Hendricks, S B; Pauling, L The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group Journal of the American Chemical Society 47 (1925) 2904-2920 Space group: R -3 m :R Cell volume: 57.9 Cell parameters: 5.481; 5.481; 5.481; 38.72; 38.72; 38.72;

COD ID: 1010089
CIF file	Formula: - K N3 - Comments: Hendricks, S B; Pauling, L The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group Journal of the American Chemical Society 47 (1925) 2904-2920 Space group: I 4/m c m Cell volume: 262 Cell parameters: 6.094; 6.094; 7.056; 90; 90; 90;

COD ID: 1010090
CIF file	Formula: - C K N O - Comments: Hendricks, S B; Pauling, L The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group Journal of the American Chemical Society 47 (1925) 2904-2920 Space group: I 4/m c m Cell volume: 259 Cell parameters: 6.07; 6.07; 7.03; 90; 90; 90;

COD ID: 1010091
CIF file	Formula: - I2 - Comments: Harris, P M; Mack, E; Blake, F C The Atomic Arrangement in the Crystal of Orthorhombic Iodine Journal of the American Chemical Society 50 (1928) 1583-1600 Space group: C m c a Cell volume: 340.2 Cell parameters: 7.255; 4.795; 9.78; 90; 90; 90;

COD ID: 1010092
CIF file	Formula: - H4 N2 O3 - Comments: Hendricks, S B; Posnjak, E; Kracek, F C Molecular Rotation in the Solid State. The Variation of the Crystal Structure of Ammonium Nitrate with Temperature Journal of the American Chemical Society 54 (1932) 2766-2786 Space group: P -4 Cell volume: 164.7 Cell parameters: 5.74; 5.74; 5; 90; 90; 90;

COD ID: 1010093
CIF file	Formula: - Ni O - Comments: Cairns, R W; Ott, E X-Ray Studies of the System Nickel-Oxygen-Water. I. Nickelous Oxide and Hydroxide Journal of the American Chemical Society 55 (1933) 527-533 Space group: F m -3 m Cell volume: 72.4 Cell parameters: 4.1684; 4.1684; 4.1684; 90; 90; 90;

COD ID: 1010094
CIF file	Formula: - B F4 Rb - Comments: Hoard, J L; Blair, V The Crystal Structures of Rubidium and Ammonium Fluoborates Journal of the American Chemical Society 57 (1935) 1985-1988 Space group: P n m a Cell volume: 367.2 Cell parameters: 9.07; 5.6; 7.23; 90; 90; 90;

COD ID: 1010095
CIF file	Formula: - Ni O - Comments: Smith, N The Structure of Thin Films of Metallic Oxides and Hydrates Journal of the American Chemical Society 58 (1936) 173-179 Space group: F m -3 m Cell volume: 73 Cell parameters: 4.18; 4.18; 4.18; 90; 90; 90;

COD ID: 1010096
CIF file	Formula: - Br - Comments: Vonnegut, B; Warren, B E The Structure of Crystalline Bromine Journal of the American Chemical Society 58 (1936) 2459-2461 Space group: C m c a Cell volume: 651.2 Cell parameters: 16.67; 4.48; 8.72; 90; 90; 90;

COD ID: 1010097
CIF file	Formula: - Mn Se2 - Comments: Elliott, N The Crystal Structure of Manganese Diselenide and Manganese Ditelluride Journal of the American Chemical Society 59 (1937) 1958-1962 Space group: P a -3 Cell volume: 264.2 Cell parameters: 6.417; 6.417; 6.417; 90; 90; 90;

COD ID: 1010098
CIF file	Formula: - H11 I N2 O6 - Comments: Helmholz, L The Crystal Structure of Ammonium Trihydrogen Paraperiodate, (N H~4~)~2~ H~3~ I O~6~ Journal of the American Chemical Society 59 (1937) 2036-2039 Space group: R -3 HR Cell volume: 455 Cell parameters: 6.88; 6.88; 11.1; 90; 90; 120;

COD ID: 1010099
CIF file	Formula: - F7 H12 N3 Zr - Comments: Hampson, G C; Pauling, L The Structure of Ammonium Heptafluozirconate and Potassium Heptafluozirconate and the Configuration of the Heptafluozirconate Group Journal of the American Chemical Society 60 (1938) 2702-2707 Space group: F m -3 m Cell volume: 821.3 Cell parameters: 9.365; 9.365; 9.365; 90; 90; 90;

COD ID: 1010100
CIF file	Formula: - F7 K3 Zr - Comments: Hampson, G C; Pauling, L The Structure of Ammonium Heptafluozirconate and Potassium Heptafluozirconate and the Configuration of the Heptafluozirconate Group Journal of the American Chemical Society 60 (1938) 2702-2707 Space group: F m -3 m Cell volume: 717.2 Cell parameters: 8.951; 8.951; 8.951; 90; 90; 90;

COD ID: 1010101
CIF file	Formula: - F6 Ge K2 - Comments: Hoard, J L; Vincent, W B Structures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate Journal of the American Chemical Society 61 (1939) 2849-2852 Space group: P -3 m 1 Cell volume: 127.2 Cell parameters: 5.62; 5.62; 4.65; 90; 90; 120;

COD ID: 1010102
CIF file	Formula: - F6 Ge H8 N2 - Comments: Hoard, J L; Vincent, W B Ytructures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate Journal of the American Chemical Society 61 (1939) 2849-2852 Space group: P -3 m 1 Cell volume: 141.5 Cell parameters: 5.85; 5.85; 4.775; 90; 90; 120;

COD ID: 1010103
CIF file	Formula: - H4 K4 Mo N8 O2 - Comments: Hoard, J L; Nordsieck, H H The Structure of Potassium Molybdocyanide Dihydrate. The Configuration of the Molybdenum Octocyanide Group Journal of the American Chemical Society 61 (1939) 2853-2863 Space group: P n m a Cell volume: 1680.8 Cell parameters: 16.55; 11.7; 8.68; 90; 90; 90;

COD ID: 1010201
CIF file	Formula: - Au2 Cl6 Cs2 - Comments: Elliott, N; Pauling, L The Crystal Structure of Cesium Aurous Auric Chloride, Vs~2~ Au Au Cl~6~, and Cesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~ Journal of the American Chemical Society 60 (1938) 1846-1851 Space group: I 4/m m m Cell volume: 609.8 Cell parameters: 7.49; 7.49; 10.87; 90; 90; 90;

COD ID: 1010202
CIF file	Formula: - Ag Au Cl6 Cs2 - Comments: Elliott, N; Pauling, L The Crystal Structure of Cesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~, and Cesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~ Journal of the American Chemical Society 60 (1938) 1846-1851 Space group: I 4/m m m Cell volume: 599.7 Cell parameters: 7.38; 7.38; 11.01; 90; 90; 90;

COD ID: 1010203
CIF file	Formula: - F2 I K O2 - Comments: Helmholz, L; Rogers, M T The Crystal Structure of Potassium Fluoroiodate, K I O~2~ F~2~ Journal of the American Chemical Society 62 (1940) 1537-1542 Space group: P c a 21 Cell volume: 420.7 Cell parameters: 8.38; 5.97; 8.41; 90; 90; 90;

COD ID: 1010204
CIF file	Formula: - Br3 H18 Nd O18 - Comments: Helmholz, L The Crystal Structure of Neodymium Enneahydrate, Nd (Br O~3~)~3~ (H~2~ O)~9~ Journal of the American Chemical Society 61 (1939) 1544-1550 Space group: P 63 m c Cell volume: 805.5 Cell parameters: 11.73; 11.73; 6.76; 90; 90; 120;

COD ID: 1010205
CIF file	Formula: - Ba F6 Si - Comments: Hoard, J L; Vincent, W B Structures of Complex Fluorides. Barium Fluorosilicate and Barium Fluorogermanate Journal of the American Chemical Society 62 (1940) 3126-3129 Space group: R -3 m :R Cell volume: 103.7 Cell parameters: 4.75; 4.75; 4.75; 97.97; 97.97; 97.97;

COD ID: 1010206
CIF file	Formula: - Ba F6 Ge - Comments: Hoard, J L; Vincent, W B Structures of Complex Fluorides. Barium Fluorosilicate and Barium Fluorogermanate Journal of the American Chemical Society 62 (1940) 3126-3129 Space group: R -3 m :R Cell volume: 109 Cell parameters: 4.83; 4.83; 4.83; 98.02; 98.02; 98.02;

COD ID: 1010376
CIF file	Formula: - Cd Cl3 H4 N - Comments: Brasseur, H; Pauling, L The Crystal Structure of Ammonium Cadmium Chloride, N H~4~ Cd Cl~3~ Journal of the American Chemical Society 60 (1938) 2886-2890 Space group: P n a m Cell volume: 528.9 Cell parameters: 8.96; 14.87; 3.97; 90; 90; 90;

COD ID: 1010377
CIF file	Formula: - Cl Na O3 - Comments: Dickinson, R G; Goodhue, E A The Crystal Structures of Sodium Chlorate and Sodium Bromate Journal of the American Chemical Society 43 (1921) 2045-2055 Space group: P 21 3 Cell volume: 282.3 Cell parameters: 6.56; 6.56; 6.56; 90; 90; 90;

COD ID: 1010378
CIF file	Formula: - Br Na O3 - Comments: Dickinson, R G; Goodhue, E A The Crystal Structures of Sodium Chlorate and Sodium Bromate Journal of the American Chemical Society 43 (1921) 2045-2055 Space group: P 21 3 Cell volume: 302.1 Cell parameters: 6.71; 6.71; 6.71; 90; 90; 90;

COD ID: 1010379
CIF file	Formula: - Cl6 H8 N2 Pt - Comments: Wyckoff, R W G; Posnjak, E The Crystal Structure of Ammonium Chloroplatinate Journal of the American Chemical Society 43 (1921) 2292-2309 Space group: F m -3 m Cell volume: 953.6 Cell parameters: 9.843; 9.843; 9.843; 90; 90; 90;

COD ID: 1010380
CIF file	Formula: - F2 H K - Comments: Helmholz, L; Rogers, M T A Redetermination of the Fluorine - Fluorine Distance in Potassium Bifluoride Journal of the American Chemical Society 61 (1939) 2590-2592 Space group: I 4/m c m Cell volume: 218.9 Cell parameters: 5.67; 5.67; 6.81; 90; 90; 90;

COD ID: 1010381
CIF file	Formula: - Ni O - Comments: Thomassen, L An X-Ray Investigation of the System Cr~2~ O~3~ - Ni O Journal of the American Chemical Society 62 (1940) 1134-1135 Space group: F m -3 m Cell volume: 72.5 Cell parameters: 4.17; 4.17; 4.17; 90; 90; 90;

COD ID: 1010389
CIF file	Formula: - Cl6 Cs2 Ge - Comments: Laubengayer, A W; Billings, O B; Newkirk, A E Chlorogermanic Acid and the Chlorogermanates. Properties and Crystal Structure of Cesium Hexachlorogermanate Journal of the American Chemical Society 62 (1940) 546-548 Space group: F m -3 m Cell volume: 1064.3 Cell parameters: 10.21; 10.21; 10.21; 90; 90; 90;

COD ID: 1010390
CIF file	Formula: - F2 H5 N - Comments: Rogers, M T; Helmholz, L A Redetermination of the Parameters in Ammonium Bifluoride Journal of the American Chemical Society 62 (1940) 1533-1536 Space group: P m a n Cell volume: 254.3 Cell parameters: 8.426; 8.18; 3.69; 90; 90; 90;

COD ID: 1010391
CIF file	Formula: - K N3 - Comments: Frevel, L K The Configuration of the Azide Ion Journal of the American Chemical Society 58 (1936) 779-782 Space group: I 4/m c m Cell volume: 262 Cell parameters: 6.094; 6.094; 7.056; 90; 90; 90;

COD ID: 1010392
CIF file	Formula: - N3 Na - Comments: Frevel, L K The Configuration of the Azide Ion Journal of the American Chemical Society 58 (1936) 779-782 Space group: R -3 m :R Cell volume: 57.9 Cell parameters: 5.481; 5.481; 5.481; 38.72; 38.72; 38.72;

COD ID: 1010609
CIF file	Formula: - As4 O6 - Comments: Bozorth, R M The crystal structures of the cubic forms of arsenious and antimonous oxide Journal of the American Chemical Society 45 (1923) 1621-1627 Space group: F d -3 m :1 Cell volume: 1352.9 Cell parameters: 11.06; 11.06; 11.06; 90; 90; 90;

COD ID: 1010610
CIF file	Formula: - I4 Sn - Comments: Dickinson, R G The crystal structure of tin tetraiodide Journal of the American Chemical Society 45 (1923) 958-962 Space group: P a -3 Cell volume: 1829.3 Cell parameters: 12.23; 12.23; 12.23; 90; 90; 90;

COD ID: 1010623
CIF file	Formula: - Ag2 Mo O4 - Comments: Wyckoff, R W G The crystal structure of silver molybdate Journal of the American Chemical Society 44 (1922) 1994-1997 Space group: F d -3 m :1 Cell volume: 794 Cell parameters: 9.26; 9.26; 9.26; 90; 90; 90;

COD ID: 1010624
CIF file	Formula: - I Na O4 - Comments: Kirkpatrick, L M; Dickinson, R G The crystal structure of sodium periodate Journal of the American Chemical Society 48 (1927) 2327-2334 Space group: I 41/a Z1 Cell volume: 337.9 Cell parameters: 5.322; 5.322; 11.93; 90; 90; 90;

COD ID: 1010626
CIF file	Formula: - H18 N8 Ni O6 - Comments: Wyckoff, R W G The composition and crystal structure of nickel nitrate hexammoniate Journal of the American Chemical Society 44 (1922) 1260-1266 Space group: P a -3 Cell volume: 1316.5 Cell parameters: 10.96; 10.96; 10.96; 90; 90; 90;

COD ID: 1010849
CIF file	Formula: - H4 O7 Pb5 - Comments: Clark, G L; Tyler, W P On Lead Oxides. II. Hydrous, Normal and Active Lead Monoxides Journal of the American Chemical Society 61 (1939) 58-65 Space group: Cell volume: 168.8 Cell parameters: 5.93; 4.65; 6.36; 90; 105.78; 90;

COD ID: 1010850
CIF file	Formula: - H24 Cr O20 S2 Tl - Comments: Klug, H P Crystal-Chemical Studies of the Alums. II. The Purple Chrome Alums Journal of the American Chemical Society 62 (1940) 2992-2993 Space group: Cell volume: 1832.9 Cell parameters: 12.238; 12.238; 12.238; 90; 90; 90;

COD ID: 1010851
CIF file	Formula: - H32 Mo7 N6 O28 - Comments: Sturdivant, J H The Formula of Ammonium Paramolybdate Journal of the American Chemical Society 59 (1937) 630-631 Space group: P 1 21/c 1 Cell volume: 2847.8 Cell parameters: 8.382; 36.125; 10.464; 90; 116; 90;

COD ID: 1010854
CIF file	Formula: - H18 Cl2 N6 Ni - Comments: Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society 44 (1922) 1239-1245 Space group: F m -3 Cell volume: 1027.2 Cell parameters: 10.09; 10.09; 10.09; 90; 90; 90;

COD ID: 1010855
CIF file	Formula: - H18 Br2 N6 Ni - Comments: Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society 44 (1922) 1239-1245 Space group: Cell volume: 1151 Cell parameters: 10.48; 10.48; 10.48; 90; 90; 90;

COD ID: 1010856
CIF file	Formula: - H18 I2 N6 Ni - Comments: Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society 44 (1922) 1239-1245 Space group: Cell volume: 1334.6 Cell parameters: 11.01; 11.01; 11.01; 90; 90; 90;

COD ID: 1010914
CIF file	Formula: - Al2 O3 - Comments: Pauling, L; Hendricks, S B Crystal Structures of Hematite and Corundum Journal of the American Chemical Society 47 (1925) 781-790 Space group: R -3 c :R Cell volume: 84.5 Cell parameters: 5.12; 5.12; 5.12; 55.28; 55.28; 55.28;

COD ID: 1010928
CIF file	Formula: - Ca C O3 - Comments: Elliott, N A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate Journal of the American Chemical Society 59 (1937) 1380-1382 Space group: R -3 c RS Cell volume: 121.9 Cell parameters: 6.36; 6.36; 6.36; 46.1; 46.1; 46.1;

COD ID: 1010929
CIF file	Formula: - Cu Fe S2 - Comments: Burdick, C L; Ellis, J H The Crystal Structure of Chalcopyrite Determined by X-Rays Journal of the American Chemical Society 39 (1917) 2519-2525 Space group: F -4 3 m Cell volume: 142.9 Cell parameters: 5.228; 5.228; 5.228; 90; 90; 90;

COD ID: 1010977
CIF file	Formula: - O Pb - Comments: Dickinson, R G; Friauf, J B The crystal structure of tetragonal lead monoxide Journal of the American Chemical Society 46 (1924) 2457-2462 Space group: P 4/n m m :1 Cell volume: 79.8 Cell parameters: 3.99; 3.99; 5.01; 90; 90; 90;

COD ID: 1010991
CIF file	Formula: - Cl Cu - Comments: Wyckoff, R W G; Posnjak, E The Crystal Structures of the Cuprous Halides Journal of the American Chemical Society 44 (1922) 30-36 Space group: F -4 3 m Cell volume: 166.5 Cell parameters: 5.501; 5.501; 5.501; 90; 90; 90;

COD ID: 1010992
CIF file	Formula: - F6 H8 N2 Si - Comments: Bozorth, R M The Crystal Structure of Ammonium Fluosilicate Journal of the American Chemical Society 44 (1922) 1066-1070 Space group: F m -3 m Cell volume: 588.5 Cell parameters: 8.38; 8.38; 8.38; 90; 90; 90;

COD ID: 1010993
CIF file	Formula: - Mo S2 - Comments: Dickinson, R G; Pauling, L The Crystal Structure of Molybdenite Journal of the American Chemical Society 45 (1923) 1466-1471 Space group: P 63/m m c Cell volume: 105.7 Cell parameters: 3.15; 3.15; 12.3; 90; 90; 120;

COD ID: 1010994
CIF file	Formula: - O2 Se - Comments: McCullough, J D The Crystal Structure of Selenium Dioxide Journal of the American Chemical Society 59 (1937) 789-794 Space group: P 42/m b c Cell volume: 352.4 Cell parameters: 8.353; 8.353; 5.051; 90; 90; 90;

COD ID: 1011029
CIF file	Formula: - N Na O3 - Comments: Elliott, N A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate Journal of the American Chemical Society 59 (1937) 1380-1382 Space group: R -3 c RS Cell volume: 124.5 Cell parameters: 6.32; 6.32; 6.32; 47.25; 47.25; 47.25;

COD ID: 1011030
CIF file	Formula: - Cr2 Ni O4 - Comments: Thomassen, L An X-Ray Investigation of the System Cr2 O3 - Ni O Journal of the American Chemical Society 62 (1940) 1134-1136 Space group: F d -3 m :1 Cell volume: 571.6 Cell parameters: 8.299; 8.299; 8.299; 90; 90; 90;

COD ID: 1011031
CIF file	Formula: - Si C - Comments: Burdick, C L; Owen, E A The Atomic Structure of Carborundum Determined by X-Rays Journal of the American Chemical Society 40 (1918) 1749-1759 Space group: F -4 3 m Cell volume: 82.8 Cell parameters: 4.358; 4.358; 4.358; 90; 90; 90;

COD ID: 1011065
CIF file	Formula: - Cl4 Cu H4 K2 O2 - Comments: Hendricks, S B; Dickinson, R G The Crystal Structure of ammonium, potassium and rubidium cupric chloride dihydrates Journal of the American Chemical Society 49 (1927) 2149-2162 Space group: P 42/m n m Cell volume: 437.4 Cell parameters: 7.45; 7.45; 7.88; 90; 90; 90;

COD ID: 1011075
CIF file	Formula: - Hg2 I2 - Comments: Huggins, M L; Magill, P L The crystal stuctures of mercuric and mercurous iodides Journal of the American Chemical Society 49 (1927) 2357-2367 Space group: I -4 m 2 Cell volume: 281.8 Cell parameters: 4.92; 4.92; 11.64; 90; 90; 90;

COD ID: 1011076
CIF file	Formula: - Cl2 Hg2 - Comments: Havighurst, R J Parameters in crystal structure. The mercurous halides Journal of the American Chemical Society 48 (1926) 2113-2130 Space group: I 4/m m m Cell volume: 217.6 Cell parameters: 4.47; 4.47; 10.89; 90; 90; 90;

COD ID: 1011077
CIF file	Formula: - Br2 Hg2 - Comments: Havighurst, R J Parameters in crystal structure. The mercurouos halides Journal of the American Chemical Society 48 (1926) 2113-2131 Space group: P 42/m n m Cell volume: 241.5 Cell parameters: 4.66; 4.66; 11.12; 90; 90; 90;

COD ID: 1011078
CIF file	Formula: - Hg2 I2 - Comments: Havighurst, R J Parameters in crystal structure. The mercurous halides Journal of the American Chemical Society 48 (1926) 2113-2125 Space group: P 42/m n m Cell volume: 281 Cell parameters: 4.92; 4.92; 11.61; 90; 90; 90;

COD ID: 1011079
CIF file	Formula: - H4 N2 O3 - Comments: West, C D The crystal sructure of rhombic ammonium nitrate Journal of the American Chemical Society 54 (1932) 2256-2260 Space group: P n m m :1 Cell volume: 153.6 Cell parameters: 4.928; 5.438; 5.732; 90; 90; 90;

COD ID: 1011129
CIF file	Formula: - Cl H4 N - Comments: Bartlett, G; Langmuir, I The crystal structure of the ammonium halides above and below the transition temperature Journal of the American Chemical Society 43 (1921) 84-91 Space group: P m -3 m Cell volume: 57.9 Cell parameters: 3.868; 3.868; 3.868; 90; 90; 90;

COD ID: 1011130
CIF file	Formula: - Cl H4 N - Comments: Bartlett, G; Langmuir, I The crystal structure of the ammonium halides above and below the transition temperature Journal of the American Chemical Society 43 (1921) 84-91 Space group: F m -3 m Cell volume: 278.8 Cell parameters: 6.533; 6.533; 6.533; 90; 90; 90;

COD ID: 1011131
CIF file	Formula: - H4 N2 O3 - Comments: Hendricks, S B; Posnjak, E; Kracek, F C Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature Journal of the American Chemical Society 54 (1932) 2766-2786 Space group: P m -3 m Cell volume: 85.2 Cell parameters: 4.4; 4.4; 4.4; 90; 90; 90;

COD ID: 1011132
CIF file	Formula: - H4 N2 O3 - Comments: Hendricks, S B; Posnjak, E; Kracek, F C Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature Journal of the American Chemical Society 54 (1932) 2766-2786 Space group: P b n m Cell volume: 313.7 Cell parameters: 7.06; 7.66; 5.8; 90; 90; 90;

COD ID: 1011133
CIF file	Formula: - H4 N2 O3 - Comments: Hendricks, S B; Posnjak, E; Kracek, F C Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature Journal of the American Chemical Society 54 (1932) 2766-2786 Space group: P m m n :1 Cell volume: 155.4 Cell parameters: 5.75; 5.45; 4.96; 90; 90; 90;

COD ID: 1011134
CIF file	Formula: - H2 Ni O2 - Comments: Cairns, R W; Ott, E X-ray studies of the system nickel-oxygen-water. I. Nickelous oxide and hydroxide Journal of the American Chemical Society 55 (1933) 527-533 Space group: P -3 m 1 Cell volume: 38.8 Cell parameters: 3.114; 3.114; 4.617; 90; 90; 120;

COD ID: 1011135
CIF file	Formula: - B F4 H4 N - Comments: Hoard, J L; Blair, V The crystal structures of rubidium and ammonium fluoborates Journal of the American Chemical Society 57 (1935) 1985-1988 Space group: P n m a Cell volume: 369.4 Cell parameters: 9.06; 5.64; 7.23; 90; 90; 90;

COD ID: 1011170
CIF file	Formula: - Mo O4 Pb - Comments: Dickinson, R G The crystal structure of wulfenite and scheelite Journal of the American Chemical Society 42 (1920) 85-93 Space group: I 41/a :1 Cell volume: 361.4 Cell parameters: 5.47; 5.47; 12.08; 90; 90; 90;

COD ID: 1011171
CIF file	Formula: - Ca O4 W - Comments: Dickinson, R G The crystal structure of wulfenite and scheelite Journal of the American Chemical Society 42 (1920) 85-93 Space group: I 41/a :1 Cell volume: 360.1 Cell parameters: 5.62; 5.62; 11.4; 90; 90; 90;

COD ID: 1011218
CIF file	Formula: - O6 Sb4 - Comments: Bozorth, R M The crystal structures of the cubic forms of arsenious and antimonous oxides Journal of the American Chemical Society 45 (1923) 1621-1627 Space group: F d -3 m :1 Cell volume: 1382.5 Cell parameters: 11.14; 11.14; 11.14; 90; 90; 90;

COD ID: 1011239
CIF file	Formula: - Cu I - Comments: Wyckoff, R W G; Posnjak, E The crystal structures of the cuprous halides Journal of the American Chemical Society 44 (1922) 30-36 Space group: F -4 3 m Cell volume: 227 Cell parameters: 6.1; 6.1; 6.1; 90; 90; 90;

COD ID: 1011240
CIF file	Formula: - Fe2 O3 - Comments: Pauling, L; Hendricks, S B The Structure of Hematite Journal of the American Chemical Society 47 (1925) 781-790 Space group: R -3 c :R Cell volume: 100.8 Cell parameters: 5.43; 5.43; 5.43; 55.28; 55.28; 55.28;

COD ID: 1011300
CIF file	Formula: - Br H4 N - Comments: Bartlett, G; Langmuir, I The crystal structure of the ammonium halides above and below the transition temperature Journal of the American Chemical Society 43 (1921) 84-91 Space group: P m -3 m Cell volume: 63.4 Cell parameters: 3.988; 3.988; 3.988; 90; 90; 90;

COD ID: 1011352
CIF file	Formula: - Mn Te2 - Comments: Elliott, N The crystal structure of manganese diselenide and manganese ditelluride Journal of the American Chemical Society 59 (1937) 1958-1962 Space group: P a -3 Cell volume: 334.7 Cell parameters: 6.943; 6.943; 6.943; 90; 90; 90;

COD ID: 1100027
CIF file	Formula: - O Sr - Comments: Primak, W; Kaufman, H; Ward, R X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors Journal of the American Chemical Society 70 (1948) 2043-2046 Space group: F m -3 m Cell volume: 135.8 Cell parameters: 5.1396; 5.1396; 5.1396; 90; 90; 90;

COD ID: 1100166

CIF file

Formula: - C44.75 H32 Ag O2 P2 -
Comments: Norie Momiyama; Hisashi Yamamoto Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity Journal of the American Chemical Society 126 (2004) 5360-5361
Space group: C 1 2/c 1
Cell volume: 3747.4
Cell parameters: 17.417; 21.402; 11.298; 90; 117.15; 90;

COD ID: 1100178
CIF file	Formula: - C25 H24 N2 O6 - Comments: Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules Journal of the American Chemical Society 122(41) (2000) 10218-10219 Space group: P -1 Cell volume: 1112.04 Cell parameters: 7.842; 12.127; 12.973; 65.76; 86.43; 81.31;

COD ID: 1100179
CIF file	Formula: - C18 H22 O - Comments: Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules Journal of the American Chemical Society 122(41) (2000) 10218-10219 Space group: R 3 :H Cell volume: 3372.15 Cell parameters: 23.056; 23.056; 7.325; 90; 90; 120;

COD ID: 1100180
CIF file	Formula: - C17 H20 O - Comments: Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules Journal of the American Chemical Society 122(41) (2000) 10218-10219 Space group: R 3 :H Cell volume: 3272.75 Cell parameters: 22.864; 22.864; 7.229; 90; 90; 120;

COD ID: 1100289

CIF file

Formula: - C20 H19 N O3 -
Comments: Tietze, Lutz F.; Brand, Siegbert; Pfeiffer, Thomas; Antel, Jochen; Harms, Klaus; Sheldrick, George M. Intra- and intermolecular hetero-Diels-Alder reactions. 15. Asymmetric induction in Grignard and hetero-Diels-Alder reactions of chiral α,β-unsaturated carbonyl compounds Journal of the American Chemical Society 109(3) (1987) 921-923
Space group: P 1 21 1
Cell volume: 1708.04
Cell parameters: 9.191; 16.567; 11.465; 90; 101.93; 90;

COD ID: 1100296

CIF file

Formula: - C10 H16 Li N O -
Comments: Boche, Gernot; Harms, Klaus; Marsch, Michael X-ray structure determination of [1-cyano-2,.2-dimtheylcyclopropyllithium·tetrahydrofuran]~∞~: a tetrahedral anionic α-cyano carbon atom Journal of the American Chemical Society 110(20) (1988) 6925-6926
Space group: P 1 21/c 1
Cell volume: 2155.72
Cell parameters: 11.493; 9.567; 19.636; 90; 93.18; 90;

COD ID: 1100358

CIF file

Formula: - C15 H37 Li N2 Si2 -
Comments: Boche, Gernot; Fraenkel, Gideon; Cabral, Jose; Harms, Klaus; Van Eikema Hommes, Nicolaas J. R.; Lohrenz, John; Marsch, Michael; Schleyer, Paul v. R. exo,exo-[1,3-Bis(trimethylsilyl)allyl]lithium-N,N,N',N'-tetramethylethylenediamine complex: crystal structure and dynamics in solution Journal of the American Chemical Society 114(5) (1992) 1562-1565
Space group: C 1 2/c 1
Cell volume: 4452.29
Cell parameters: 19.69; 11.788; 19.56; 90; 101.28; 90;

COD ID: 1100374

CIF file

Formula: - C25 H25 Fe P5 -
Comments: Elschenbroich, Christoph; Nowotny, Mathias; Behrendt, Andreas; Harms, Klaus; Wocadlo, Sigrid; Pebler, Juergen Pentakis(η^1^-phosphinine)iron: Synthesis, Structure, and Mode of Formation Journal of the American Chemical Society 116(14) (1994) 6217-6219
Space group: P 1 2/n 1
Cell volume: 2465.61
Cell parameters: 16.01; 9.727; 16.193; 90; 102.11; 90;

COD ID: 1100430

CIF file

Formula: - C13 H11 D O2 V -
Comments: Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K. Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH) Journal of the American Chemical Society 119(32) (1997) 7452-7457
Space group: P 1 21/n 1
Cell volume: 1069.31
Cell parameters: 6.993; 16.539; 9.554; 90; 104.6; 90;

COD ID: 1100431

CIF file

Formula: - C13 H12 O2 V -
Comments: Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K. Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH) Journal of the American Chemical Society 119(32) (1997) 7452-7457
Space group: P 1 21/n 1
Cell volume: 1066.33
Cell parameters: 6.98; 16.541; 9.544; 90; 104.6; 90;

COD ID: 1100432

CIF file

Formula: - C26 H22 O3 V2 -
Comments: Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K. Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH) Journal of the American Chemical Society 119(32) (1997) 7452-7457
Space group: P 1 21/n 1
Cell volume: 4145.26
Cell parameters: 13.534; 23.276; 13.582; 90; 104.34; 90;

COD ID: 1100463

CIF file

Formula: - C8 H10 I N3 -
Comments: Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes Journal of the American Chemical Society 118 (1996) 4925-4930
Space group: P n m a
Cell volume: 1003.32
Cell parameters: 8.973; 6.542; 17.092; 90; 90; 90;

COD ID: 1100464

CIF file

Formula: - C10 H12 I N3 -
Comments: Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes Journal of the American Chemical Society 118 (1996) 4925-4930
Space group: C 1 2/c 1
Cell volume: 2318.78
Cell parameters: 26.993; 5.599; 15.917; 90; 105.44; 90;

COD ID: 1100502

CIF file

Formula: - C23 H48 Cl6 N2 O10 Ti2 -
Comments: Boche, Gernot; Möbus, Konrad; Harms, Klaus; Marsch, Michael [((η^2^-tert-Butylperoxo)titanatrane)~2~ · 3 Dichloromethane]: X-ray Crystal Structure and Oxidation Reactions Journal of the American Chemical Society 118(11) (1996) 2770-2771
Space group: P -1
Cell volume: 1181.21
Cell parameters: 10.363; 10.397; 12.137; 92.88; 109.44; 104.47;

COD ID: 1100584

CIF file

Formula: - C24 H30 N2 O5 -
Comments: Bach, Thorsten; Bergmann, Hermann; Harms, Klaus High Facial Diastereoselectivity in the Photocycloaddition of a Chiral Aromatic Aldehyde and an Enamide Induced by Intermolecular Hydrogen Bonding Journal of the American Chemical Society 121 (1999) 10650-10651
Space group: P -1
Cell volume: 1065.85
Cell parameters: 8.145; 11.17; 13.241; 105.19; 106.46; 101.38;

COD ID: 1100873
CIF file	Formula: - C38 H42 O13 P Pt Ru5 - Comments: Adams, Richard D.; Captain, Burjor; Zhu, Lei Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)] Journal of the American Chemical Society 126(10) (2004) 3042-3043 Space group: P -1 Cell volume: 2275.91 Cell parameters: 12.6218; 13.3776; 14.3654; 92.678; 91.051; 109.958;

COD ID: 1100918

CIF file

Formula: - C19 H29 Co N6 O4 -
Comments: Yuji Ohashi; Kazunori Yanagi; Toshiharu Kurihara; Yoshio Sasada; Yoshiaki Ohgo Crystalline state reaction of cobaloxime complexes by x-ray exposure. 1. Direct observation of cobalt-carbon bond cleavage in [(R)-1-cyanoethyl][(S)-(-)-.alpha.-methylbenzylamine] bis(dimethylglyoximato)cobalt(III) Journal of the American Chemical Society 103 (1981) 5805-5812
Space group: P 1 21 1
Cell volume: 1125.35
Cell parameters: 8.638; 13.833; 9.537; 90; 99.06; 90;

COD ID: 1101040
CIF file	Formula: - O Sr - Comments: Primak, W; Kaufman, H; Ward, R X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors Journal of the American Chemical Society 70 (1948) 2043-2046 Space group: F m -3 m Cell volume: 135.8 Cell parameters: 5.1396; 5.1396; 5.1396; 90; 90; 90;

COD ID: 1101222

CIF file

Formula: - C24 H118 Al6 N16 O65 P12 Zn3 -
Comments: Lionel Beitone; Clarisse Huguenard; Axel Gansmüller; Marc Henry; Francis Taulelle; Thierry Loiseau; Gérard Férey Order-Disorder in the Super-Sodalite Zn3Al6(PO4)12, 4tren, 17H2O (MIL-74): A Combined XRD-NMR Assessment Journal of the American Chemical Society 125 (2003) 9102-9110
Space group: P -4 3 n
Cell volume: 4736.72
Cell parameters: 16.7942; 16.7942; 16.7942; 90; 90; 90;

COD ID: 1101223

CIF file

Formula: - H1262 K43 Mo214 Na11 O1404 S12 V34 -
Comments: Botar, Bogdan; Kögerler, Paul; Hill, Craig L. A Nanoring‒Nanosphere Molecule, {Mo~214~V~30~}: Pushing the Boundaries of Controllable Inorganic Structural Organization at the Molecular Level Journal of the American Chemical Society 128(16) (2006) 5336-5337
Space group: C 1 2/m 1
Cell volume: 75763
Cell parameters: 46.324; 42.268; 41.896; 90; 112.549; 90;

COD ID: 2000044

CIF file

Formula: - C42 H86 N2 P4 S8 W6 -
Comments: Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters Journal of the American Chemical Society 124 (2002) 9229-9240
Space group: P 1 21/n 1
Cell volume: 6169.27
Cell parameters: 15.8389; 19.4806; 20.0882; 90; 95.542; 90;

COD ID: 2000045

CIF file

Formula: - C40 H83 N2 P5 S8 W6 -
Comments: Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters Journal of the American Chemical Society 124 (2002) 9229-9240
Space group: P -1
Cell volume: 5952.08
Cell parameters: 12.024; 21.356; 25.107; 112.39; 92.58; 90.68;

COD ID: 2000099

CIF file

Formula: - C94.5 H96.5 B2 N6.5 Ni2 O7 S2 -
Comments: Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species Journal of the American Chemical Society 123(33) (2001) 8053-8066
Space group: P -1
Cell volume: 8790.67
Cell parameters: 18.128; 20.224; 26.221; 101.3; 104.07; 102.37;

COD ID: 4060000
CIF file	Formula: - C42 H52 O6 - Comments: Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai Total Synthesis of Absinthin Journal of the American Chemical Society 127 (2005) 18-19 Space group: P 21 21 21 Cell volume: 3727.6 Cell parameters: 8.574; 15.235; 28.536; 90; 90; 90;

COD ID: 4060001
CIF file	Formula: - C34 H44 O8 - Comments: Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai Total Synthesis of Absinthin Journal of the American Chemical Society 127 (2005) 18-19 Space group: P 21 21 21 Cell volume: 3235.8 Cell parameters: 9.9596; 11.4051; 28.487; 90; 90; 90;

COD ID: 4060002
CIF file	Formula: - C28 H18 F4 N6 Pt2 - Comments: Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society 127 (2005) 28-29 Space group: P -1 Cell volume: 1272.2 Cell parameters: 9.081; 12.134; 13.362; 73.149; 71.641; 68.191;

COD ID: 4060003

CIF file

Formula: - C32 H26 F4 N6 Pt2 -
Comments: Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society 127 (2005) 28-29
Space group: P -1
Cell volume: 1495.6
Cell parameters: 10.157; 10.574; 15.057; 103.412; 100.633; 101.514;

COD ID: 4060004
CIF file	Formula: - C38 H38 F4 N6 Pt2 - Comments: Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society 127 (2005) 28-29 Space group: P 1 21/n 1 Cell volume: 3558.9 Cell parameters: 10.0382; 20.024; 17.864; 90; 97.633; 90;

COD ID: 4060005
CIF file	Formula: - C44 H50 F4 N6 Pt2 - Comments: Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society 127 (2005) 28-29 Space group: P 1 21/n 1 Cell volume: 4088.7 Cell parameters: 18.549; 10.512; 21.43; 90; 101.912; 90;

COD ID: 4060006

CIF file

Formula: - C21 H22 B F2 N5 Pt -
Comments: Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society 127 (2005) 28-29
Space group: P -1
Cell volume: 1028.37
Cell parameters: 8.5663; 9.4344; 12.8913; 90.838; 95.492; 97.262;

COD ID: 4060007

CIF file

Formula: - C17 H21 F6 N3 S -
Comments: Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society 127 (2005) 119-125
Space group: P c c n
Cell volume: 3818.5
Cell parameters: 17.8302; 23.4425; 9.1356; 90; 90; 90;

COD ID: 4060008

CIF file

Formula: - C16 H19 N O5 -
Comments: Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society 127 (2005) 119-125
Space group: P 1 21 1
Cell volume: 760
Cell parameters: 8.34; 11.15; 8.538; 90; 106.8; 90;

COD ID: 4060009

CIF file

Formula: - C20 H19 N O5 -
Comments: Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society 127 (2005) 119-125
Space group: P 1 21 1
Cell volume: 3511
Cell parameters: 11.367; 11.559; 26.73; 90; 90.02; 90;

COD ID: 4060010

CIF file

Formula: - C21 H19 Br Cl3 N O5 -
Comments: Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society 127 (2005) 119-125
Space group: P 21 21 21
Cell volume: 2228
Cell parameters: 8.509; 11.225; 23.33; 90; 90; 90;

COD ID: 4060011
CIF file	Formula: - C69 H67 Cl O18 - Comments: Taizoon Canteenwala; Prashant A. Padmawar; Long Y. Chiang Intense Near-Infrared Optical Absorbing Emerald Green [60]Fullerenes Journal of the American Chemical Society 127 (2005) 26-27 Space group: P-1 Cell volume: 3656.88 Cell parameters: 14.09; 15.066; 18.405; 70.22; 87.22; 84.14;

COD ID: 4060012
CIF file	Formula: - C34 H16 B2 F24 O4 - Comments: Stewart P. Lewis; Lee D. Henderson; Brett D. Chandler; Masood Parvez; Warren E. Piers; Scott Collins Aqueous Suspension Polymerization of Isobutene Initiated by 1,2-C6F4[B(C6F5)2]2 Journal of the American Chemical Society 127 (2005) 46-47 Space group: P -1 Cell volume: 1798.1 Cell parameters: 9.796; 12.566; 15.497; 71.611; 86.79; 83.47;

COD ID: 4060013
CIF file	Formula: - C24 H27 N O6 - Comments: Jian Huang; Richard P. Hsung Chiral Lewis Acid-Catalyzed Highly Enantioselective [4 + 3] Cycloaddition Reactions of Nitrogen-Stabilized Oxyallyl Cations Derived from Allenamides Journal of the American Chemical Society 127 (2005) 50-51 Space group: P 1 21 1 Cell volume: 1081 Cell parameters: 11.615; 6.6412; 14.076; 90; 95.389; 90;

COD ID: 4060014

CIF file

Formula: - C34 H59 Ce -
Comments: Laurent Maron; Evan L. Werkema; Lionel Perrin; Odile Eisenstein; Richard A. Andersen Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies Journal of the American Chemical Society 127 (2005) 279-292
Space group: P 1 21/n 1
Cell volume: 3235.5
Cell parameters: 9.2454; 34.141; 10.872; 90; 109.476; 90;

COD ID: 4060015

CIF file

Formula: - C40 H58 Ce F5 -
Comments: Maron, Laurent; Werkema, Evan L.; Perrin, Lionel; Eisenstein, Odile; Andersen, Richard A. Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies Journal of the American Chemical Society 127 (2005) 279-292
Space group: P -1
Cell volume: 1871.7
Cell parameters: 10.14; 12.213; 15.632; 85.86; 81.146; 78.336;

COD ID: 4060016
CIF file	Formula: - C25 H55 Hf P Si6 - Comments: Roland Fischer; Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner Synthesis of a Hafnocene Disilene Complex Journal of the American Chemical Society 127 (2005) 70-71 Space group: P b c n Cell volume: 6978 Cell parameters: 16.487; 22.667; 18.672; 90; 90; 90;

COD ID: 4060017
CIF file	Formula: - C10.17 H11 Cl0.25 N O P2 - Comments: Nagavarakishore Pillarsetty; Kannan Raghuraman; Charles L. Barnes; Kattesh V. Katti Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines 1 Journal of the American Chemical Society 127 (2005) 331-336 Space group: R -3 :H Cell volume: 5687.2 Cell parameters: 21.5254; 21.5254; 14.173; 90; 90; 120;

COD ID: 4060018
CIF file	Formula: - C14 H15 N O5 P2 W - Comments: Nagavarakishore Pillarsetty; Kannan Raghuraman; Charles L. Barnes; Kattesh V. Katti Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines 1 Journal of the American Chemical Society 127 (2005) 331-336 Space group: P b c a Cell volume: 3469.3 Cell parameters: 8.6521; 17.2931; 23.187; 90; 90; 90;

COD ID: 4060019
CIF file	Formula: - C13 H15 Br N O4 P2 Re - Comments: Nagavarakishore Pillarsetty; Kannan Raghuraman; Charles L. Barnes; Kattesh V. Katti Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines 1 Journal of the American Chemical Society 127 (2005) 331-336 Space group: P 21 21 21 Cell volume: 1761.5 Cell parameters: 6.5297; 13.6202; 19.8064; 90; 90; 90;

COD ID: 4060020
CIF file	Formula: - Gd5 Ge1.95 Si2.05 - Comments: Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller On the High-Temperature Phase Transition of Gd5Si2Ge2 Journal of the American Chemical Society 127 (2005) 317-324 Space group: P n m a Cell volume: 875.9 Cell parameters: 7.5359; 14.847; 7.8287; 90; 90; 90;

COD ID: 4060021
CIF file	Formula: - Gd5 Ge1.99 Si2.02 - Comments: Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller On the High-Temperature Phase Transition of Gd5Si2Ge2 Journal of the American Chemical Society 127 (2005) 317-324 Space group: P 1 1 21/a Cell volume: 873.26 Cell parameters: 7.5856; 14.81; 7.7855; 90; 90; 93.223;

COD ID: 4060193
CIF file	Formula: - C30 H22 N6 O2 - Comments: Tomasz Fekner; Judith Gallucci; Michael K. Chan Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands Journal of the American Chemical Society 126 (2004) 223-236 Space group: P 1 21/n 1 Cell volume: 2349.3 Cell parameters: 16.046; 7.434; 20.025; 90; 100.42; 90;

COD ID: 4060194
CIF file	Formula: - C30 H20 N6 Ni O2 - Comments: Tomasz Fekner; Judith Gallucci; Michael K. Chan Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands Journal of the American Chemical Society 126 (2004) 223-236 Space group: P n m a Cell volume: 5823 Cell parameters: 17.985; 26.557; 12.191; 90; 90; 90;

COD ID: 4060195
CIF file	Formula: - C32 H24 N6 Ni O4 - Comments: Tomasz Fekner; Judith Gallucci; Michael K. Chan Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands Journal of the American Chemical Society 126 (2004) 223-236 Space group: P-1 Cell volume: 1266 Cell parameters: 8.082; 11.956; 13.813; 84.49; 89.44; 72.38;

COD ID: 4060196

CIF file

Formula: - C96 H78 Cl6 N12 Ni2 O9 -
Comments: Tomasz Fekner; Judith Gallucci; Michael K. Chan Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands Journal of the American Chemical Society 126 (2004) 223-236
Space group: P-1
Cell volume: 4270.1
Cell parameters: 14.017; 15.085; 21.778; 99.55; 108.7; 93.39;

COD ID: 4060197

CIF file

Formula: - C23 H30 Co4 O14 Yb -
Comments: Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays Journal of the American Chemical Society 126 (2004) 204-213
Space group: P b c a
Cell volume: 6371.1
Cell parameters: 16.3884; 19.5173; 19.9185; 90; 90; 90;

COD ID: 4060198

CIF file

Formula: - C23 H30 Co4 Eu O14 -
Comments: Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays Journal of the American Chemical Society 126 (2004) 204-213
Space group: P b c a
Cell volume: 6491.3
Cell parameters: 16.3813; 19.7197; 20.0949; 90; 90; 90;

COD ID: 4060199

CIF file

Formula: - C23 H28 Co4 O14 Yb -
Comments: Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays Journal of the American Chemical Society 126 (2004) 204-213
Space group: P 1 21/n 1
Cell volume: 3159.3
Cell parameters: 11.1607; 16.3616; 17.4351; 90; 97.108; 90;

COD ID: 4060200

CIF file

Formula: - C31 H40 Co4 Eu O16 -
Comments: Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays Journal of the American Chemical Society 126 (2004) 204-213
Space group: C 2 2 21
Cell volume: 3881.4
Cell parameters: 12.4723; 17.2458; 18.0452; 90; 90; 90;

COD ID: 4060201

CIF file

Formula: - C31 H29 N4 O2 -
Comments: Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation Journal of the American Chemical Society 126 (2004) 58-59
Space group: C 1 2/c 1
Cell volume: 5106.8
Cell parameters: 37.16; 6.127; 24.091; 90; 111.392; 90;

COD ID: 4060202

CIF file

Formula: - C32 H31 Cl3 N4 O6 -
Comments: Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation Journal of the American Chemical Society 126 (2004) 58-59
Space group: P -1
Cell volume: 1577.2
Cell parameters: 10.2817; 11.2323; 15.539; 80.704; 77.666; 64.483;

COD ID: 4060203
CIF file	Formula: - C27 H27 F5 I N O - Comments: H. Loc Nguyen; Peter N. Horton; Michael B. Hursthouse; Anthony C. Legon; Duncan W. Bruce Halogen Bonding: A New Interaction for Liquid Crystal Formation Journal of the American Chemical Society 126 (2004) 16-17 Space group: P -1 Cell volume: 1248.6 Cell parameters: 5.477; 11.963; 19.287; 95.137; 93.217; 96.157;

COD ID: 4060204

CIF file

Formula: - C7 H14 Cl N3 O4 -
Comments: Eduard Y. Chekmenev; Qianwen Zhang; Kevin W. Waddell; Mark S. Mashuta; Richard J. Wittebort 15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure Journal of the American Chemical Society 126 (2004) 379-384
Space group: P 21 21 21
Cell volume: 1044.42
Cell parameters: 5.2258; 8.7007; 22.97; 90; 90; 90;

COD ID: 4060205

CIF file

Formula: - C9 H18 Cl N3 O4 -
Comments: Eduard Y. Chekmenev; Qianwen Zhang; Kevin W. Waddell; Mark S. Mashuta; Richard J. Wittebort 15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure Journal of the American Chemical Society 126 (2004) 379-384
Space group: P 21 21 21
Cell volume: 1261.8
Cell parameters: 6.989; 8.2684; 21.834; 90; 90; 90;

COD ID: 4060206
CIF file	Formula: - C33 H44 N6 O19 S4 - Comments: Lara A. Estroff; Christopher D. Incarvito; Andrew D. Hamilton Design of a Synthetic Foldamer that Modifies the Growth of Calcite Crystals Journal of the American Chemical Society 126 (2004) 2-3 Space group: P -1 Cell volume: 4325.9 Cell parameters: 13.6343; 14.1508; 23.889; 86.844; 82.792; 71.115;

COD ID: 4060207
CIF file	Formula: - C24 H19 N8 - Comments: Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3 Journal of the American Chemical Society 126 (2004) 291-294 Space group: P -1 Cell volume: 1023.6 Cell parameters: 7.7607; 10.097; 13.895; 89; 84.063; 70.988;

COD ID: 4060208
CIF file	Formula: - C24 H19 N8 - Comments: Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3 Journal of the American Chemical Society 126 (2004) 291-294 Space group: P -1 Cell volume: 1060 Cell parameters: 7.8164; 10.3585; 14.02; 88; 83.944; 69.911;

COD ID: 4060209
CIF file	Formula: - C24 H19 N8 - Comments: Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3 Journal of the American Chemical Society 126 (2004) 291-294 Space group: P -1 Cell volume: 1047.51 Cell parameters: 7.8153; 10.186; 14.02; 89; 84.021; 70.743;

COD ID: 4060210
CIF file	Formula: - C24 H19 N8 - Comments: Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3 Journal of the American Chemical Society 126 (2004) 291-294 Space group: P -1 Cell volume: 1075.8 Cell parameters: 7.851; 10.454; 14.074; 88; 83.455; 69.668;

COD ID: 4060211

CIF file

Formula: - C28 H44 Cl2 P2 Zr -
Comments: Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization Journal of the American Chemical Society 126 (2004) 42-43
Space group: P 1 21/c 1
Cell volume: 2986.2
Cell parameters: 9.1306; 13.241; 24.7714; 90; 94.356; 90;

COD ID: 4060212

CIF file

Formula: - C60.5 H56 Si Zr -
Comments: Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization Journal of the American Chemical Society 126 (2004) 42-43
Space group: P -1
Cell volume: 2321.16
Cell parameters: 12.3585; 12.4741; 16.6548; 95.175; 95.375; 113.504;

COD ID: 4060213

CIF file

Formula: - C22 H30 Zr -
Comments: Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond Journal of the American Chemical Society 126 (2004) 60-61
Space group: P 1 21/n 1
Cell volume: 1895.64
Cell parameters: 26.7687; 8.7564; 8.0887; 90; 91.063; 90;

COD ID: 4060214

CIF file

Formula: - C27 H33 P Zr2 -
Comments: Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond Journal of the American Chemical Society 126 (2004) 60-61
Space group: P 1 21/c 1
Cell volume: 2758.28
Cell parameters: 10.5259; 33.0858; 8.2256; 90; 105.661; 90;

COD ID: 4060215

CIF file

Formula: - C3.33 H4.67 Mn O4.67 -
Comments: Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties Journal of the American Chemical Society 126 (2004) 32-33
Space group: P 1 21/n 1
Cell volume: 1819
Cell parameters: 11.715; 10.248; 15.159; 90; 91.81; 90;

COD ID: 4060216

CIF file

Formula: - C2 H2 Mn O4 -
Comments: Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties Journal of the American Chemical Society 126 (2004) 32-33
Space group: P 1 21/n 1
Cell volume: 1788.6
Cell parameters: 11.7203; 10.207; 14.9556; 90; 91.439; 90;

COD ID: 4060217

CIF file

Formula: - C2 H2 Mn O4 -
Comments: Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties Journal of the American Chemical Society 126 (2004) 32-33
Space group: P n a 21
Cell volume: 1259.7
Cell parameters: 12.8962; 8.3888; 11.6442; 90; 90; 90;

COD ID: 4062739

CIF file

Formula: - C28 H30 F12 Fe4 O2 P2 -
Comments: Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction Journal of the American Chemical Society 126 (2004) 4104-4105
Space group: P n m a
Cell volume: 3129
Cell parameters: 14.903; 10.168; 20.654; 89; 89; 90;

COD ID: 4062742

CIF file

Formula: - C56 H60 Fe8 O4 -
Comments: Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction Journal of the American Chemical Society 126 (2004) 4104-4105
Space group: P 1 21/c 1
Cell volume: 4746
Cell parameters: 9.353; 15.634; 32.792; 90; 98.174; 90;

COD ID: 4062792
CIF file	Formula: - C38 H36 N P2 Rh - Comments: Christopher Krug; John F. Hartwig Imine Insertion into a Late Metal-Carbon Bond To Form a Stable Amido Complex Journal of the American Chemical Society 126 (2004) 2694-2695 Space group: P -1 Cell volume: 1593.3 Cell parameters: 11.128; 11.1646; 13.098; 84.261; 84.977; 80.62;

COD ID: 4062793
CIF file	Formula: - C61 H59 N2 O2 P2 Rh - Comments: Christopher Krug; John F. Hartwig Imine Insertion into a Late Metal-Carbon Bond To Form a Stable Amido Complex Journal of the American Chemical Society 126 (2004) 2694-2695 Space group: P 1 21/c 1 Cell volume: 5176.4 Cell parameters: 20.443; 13.454; 20.069; 90; 110.31; 90;

COD ID: 4062795
CIF file	Formula: - C48 H44 N O P2 Rh - Comments: Christopher Krug; John F. Hartwig Imine Insertion into a Late Metal-Carbon Bond To Form a Stable Amido Complex Journal of the American Chemical Society 126 (2004) 2694-2695 Space group: C 1 2/c 1 Cell volume: 8010 Cell parameters: 14.72; 29.946; 18.379; 90; 98.62; 90;

COD ID: 4062964

CIF file

Formula: - C20 H25 B F3 Mo N9 O4 S -
Comments: Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments Journal of the American Chemical Society 126 (2004) 6806-6815
Space group: P 1 21/n 1
Cell volume: 5345.7
Cell parameters: 19.2002; 12.8053; 23.2887; 90; 110.996; 90;

COD ID: 4100000
CIF file	Formula: - C30 H36 N2 Ni O3 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 5823 Cell parameters: 18.0757; 16.097; 20.6888; 90; 104.687; 90;

COD ID: 4100001
CIF file	Formula: - C14 H25 Cl N2 Ni - Comments: Journal of the American Chemical Society (2005) Space group: P n a 21 Cell volume: 1522.8 Cell parameters: 11.0032; 9.6385; 14.3586; 90; 90; 90;

COD ID: 4100002
CIF file	Formula: - C14 H25 Br N2 Ni - Comments: Journal of the American Chemical Society (2005) Space group: P n a 21 Cell volume: 1624.2 Cell parameters: 11.2997; 9.7379; 14.7603; 90; 90; 90;

COD ID: 4100003
CIF file	Formula: - C24 H24 N2 Ni O3 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1148.8 Cell parameters: 7.7145; 8.3682; 19.411; 78.551; 88.502; 69.455;

COD ID: 4100004
CIF file	Formula: - C24 H26 N2 Ni O3 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 9342.8 Cell parameters: 18.275; 16.387; 31.1987; 90; 90.476; 90;

COD ID: 4100005
CIF file	Formula: - C30 H38 N2 Ni O3 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 2841.3 Cell parameters: 8.94; 20.5564; 16.0631; 90; 105.736; 90;

COD ID: 4100006
CIF file	Formula: - C86 H86 Fe2 N8 O10 P2 - Comments: Journal of the American Chemical Society (2005) Space group: C 1 2/c 1 Cell volume: 7779 Cell parameters: 13.649; 25.077; 22.742; 90; 91.952; 90;

COD ID: 4100007
CIF file	Formula: - C97 H98 F3 Fe2 N8 O13.5 P2 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 4431.4 Cell parameters: 14.084; 15.38; 24.082; 97.723; 100.09; 117.146;

COD ID: 4100008
CIF file	Formula: - C22 H41 B2 O4 Rh - Comments: Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B. Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 2488.8 Cell parameters: 7.3844; 15.64; 22.541; 105.37; 96.51; 91.82;

COD ID: 4100009
CIF file	Formula: - C28 H52 B3 O6 Rh - Comments: Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B. Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 3268.1 Cell parameters: 13.798; 14.718; 17.139; 73.3; 89.38; 78.95;

COD ID: 4100010
CIF file	Formula: - C39.5 H55 B O2 P Rh - Comments: Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B. Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1883.6 Cell parameters: 10.43; 11.785; 17.455; 74.18; 87.53; 66.22;

COD ID: 4100011
CIF file	Formula: - C28 H54 B2 O4 P Rh - Comments: Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B. Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 6399 Cell parameters: 18.496; 20.128; 19.179; 90; 116.33; 90;

COD ID: 4100012

CIF file

Formula: - C26 H42 Si2 -
Comments: Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; . Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 674.7
Cell parameters: 7.2615; 8.7028; 11.485; 104.878; 100.648; 98.4852;

COD ID: 4100013

CIF file

Formula: - C28 H42 Si2 -
Comments: Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; . Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties Journal of the American Chemical Society (2005)
Space group: C 1 2/c 1
Cell volume: 2764
Cell parameters: 21.699; 7.8425; 16.242; 90; 90.184; 90;

COD ID: 4100014

CIF file

Formula: - C30 H42 Si2 -
Comments: Eisler, Sara; Slepkov, Aaron D.; Elliott, Erin; Luu, Thanh; McDonald, Robert; Hegmann, Frank A.; Tykwinski, Rik R. Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 1537.4
Cell parameters: 8.2757; 13.4444; 13.9444; 90; 97.7225; 90;

COD ID: 4100015

CIF file

Formula: - C34 H42 Si2 -
Comments: Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; . Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1620.9
Cell parameters: 7.6441; 12.485; 18.3; 70.701; 82.758; 80.5;

COD ID: 4100016
CIF file	Formula: - C27 H24 N O2 P - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 2123.5 Cell parameters: 9.7619; 10.3789; 21.056; 90; 95.506; 90;

COD ID: 4100017
CIF file	Formula: - C18 H24 O3 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1543.7 Cell parameters: 9.932; 18.201; 8.7778; 99.675; 90.281; 99.129;

COD ID: 4100018
CIF file	Formula: - C23 H31 N O3 - Comments: Xia, Wujiong; Yang, Chao; Patrick, Brian O.; Scheffer, John R.; Scott, Carl Journal of the American Chemical Society (2005) Space group: P 21 21 21 Cell volume: 2060.3 Cell parameters: 6.0537; 17.481; 19.469; 90; 90; 90;

COD ID: 4100019
CIF file	Formula: - C22 H17 Fe N3 O - Comments: Liao, Yi; Kaminsky, Werner Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 1909.38 Cell parameters: 10.437; 18.322; 11.697; 90; 121.391; 90;

COD ID: 4100020
CIF file	Formula: - C30 H25 Cl4 Fe N3 O S - Comments: Liao, Yi; Robinson, Bruce; Kaminsky, Werner; Benedict, Jason Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1536.82 Cell parameters: 10.003; 11.271; 14.935; 70.166; 89.948; 76.818;

COD ID: 4100021
CIF file	Formula: - C27.2 H16.39 Cl0.39 F3 Fe N3 O - Comments: Liao, Yi; Robinson, Bruce; Kaminsky, Werner Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 2322.4 Cell parameters: 13.47; 14.161; 14.661; 73.342; 64.348; 68.832;

COD ID: 4100022
CIF file	Formula: - C34 H22 Cl2 F3 Fe N3 O S - Comments: Liao, Yi; Robinson, Bruce; Kaminsky, Werner; Benedict, Jason Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores Journal of the American Chemical Society (2005) Space group: C 1 2/c 1 Cell volume: 6161.9 Cell parameters: 28.041; 15.294; 19.322; 90; 131.96; 90;

COD ID: 4100023
CIF file	Formula: - C23 H33 B2 Cl2 F3 N4 O3 S - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21 1 Cell volume: 1455.1 Cell parameters: 8.257; 8.37; 21.383; 90; 100.054; 90;

COD ID: 4100024
CIF file	Formula: - C40 H52 B2 N4 O5 W - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 3987.3 Cell parameters: 12.506; 20.434; 16.308; 90; 106.907; 90;

COD ID: 4100025
CIF file	Formula: - C29 H46 B2 N4 - Comments: Journal of the American Chemical Society (2005) Space group: F d d 2 Cell volume: 5895.2 Cell parameters: 17.75; 41.914; 7.9239; 90; 90; 90;

COD ID: 4100026

CIF file

Formula: - C29 H47 N O4 -
Comments: Palomo, Claudio; Oiarbide, Mikel; Kardak, Bharat G.; García, Jesús; Linden, Anthony α'-Hydoxy Enones as New Templates for Cu(II)-Catalyzed Enantioselective Pyrrole and Indole Friedel-Crafts Alkylations Journal of the American Chemical Society (2005)
Space group: C 1 2 1
Cell volume: 2816.4
Cell parameters: 15.856; 9.4706; 20.2922; 90; 112.441; 90;

COD ID: 4100027
CIF file	Formula: - C50 H78 Sm2 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 4674.8 Cell parameters: 11.3456; 21.6734; 19.3685; 90; 101.026; 90;

COD ID: 4100028
CIF file	Formula: - C35 H36 Co O2 P S Si - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 3216.3 Cell parameters: 9.978; 17.896; 18.049; 90; 93.665; 90;

COD ID: 4100029
CIF file	Formula: - C24 H24 Co2 S2 - Comments: Journal of the American Chemical Society (2005) Space group: C 1 2 1 Cell volume: 1061.2 Cell parameters: 17.381; 5.8345; 11.3055; 90; 112.239; 90;

COD ID: 4100030
CIF file	Formula: - C35 H36 Co O P S Si - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1629.8 Cell parameters: 9.0966; 10.7124; 17.936; 74.952; 89.251; 75.278;

COD ID: 4100031
CIF file	Formula: - C66 H86 N6 O10 S2 - Comments: Journal of the American Chemical Society (2005) Space group: C 1 c 1 Cell volume: 6358.8 Cell parameters: 20.4171; 16.487; 18.8953; 90; 91.321; 90;

COD ID: 4100032
CIF file	Formula: - C32 H39 Cl2 N3 O4 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 2986.35 Cell parameters: 9.537; 26.9572; 12.3589; 90; 109.968; 90;

COD ID: 4100033
CIF file	Formula: - C17 H10 Cl F4 N3 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 1461.4 Cell parameters: 13.958; 7.5579; 15.236; 90; 114.6; 90;

COD ID: 4100034
CIF file	Formula: - C17 H10 Cl F4 N3 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 755.8 Cell parameters: 6.8075; 9.0631; 13.4888; 70.863; 78.833; 75.604;

COD ID: 4100035
CIF file	Formula: - C19 H13 F4 N - Comments: Journal of the American Chemical Society (2005) Space group: P n m a Cell volume: 1458.7 Cell parameters: 7.5926; 12.408; 15.483; 90; 90; 90;

COD ID: 4100036
CIF file	Formula: - C18 H12 F4 N2 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1439.1 Cell parameters: 7.711; 11.939; 15.819; 91.697; 90.421; 98.628;

COD ID: 4100037

CIF file

Formula: - C17 H13 F3 O5 S -
Comments: Synthesis and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton-Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 846.6
Cell parameters: 8.546; 9.43; 11.165; 73.016; 82.571; 81.014;

COD ID: 4100038
CIF file	Formula: - C20 H23 O6 P - Comments: Journal of the American Chemical Society (2005) Space group: P 21 21 21 Cell volume: 1954.2 Cell parameters: 10.033; 11.953; 16.295; 90; 90; 90;

COD ID: 4100039
CIF file	Formula: - C15 H12 Br2 O - Comments: Journal of the American Chemical Society (2005) Space group: P n m a Cell volume: 1301.7 Cell parameters: 7.334; 19.543; 9.082; 90; 90; 90;

COD ID: 4100040
CIF file	Formula: - C29 H31 F6 K O8 - Comments: Journal of the American Chemical Society (2005) Space group: P b c a Cell volume: 6289.4 Cell parameters: 13.91; 19.228; 23.515; 90; 90; 90;

COD ID: 4100041

CIF file

Formula: ?
Comments: Synthesis of Novel Tridentate Anthracene Ligand Bearing NMe2 Groups; Application to Stabilize of the Transition State of the Intramolecular SN2 Reaction on Boron Atom and to Synthesize Completely Planar Palladium (0) Complex bearing NCN pincer ligand Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 2004.1
Cell parameters: 16.378; 7.467; 16.966; 90; 105.007; 90;

COD ID: 4100042

CIF file

Formula: ?
Comments: Synthesis of Novel Tridentate Anthracene Ligand Bearing NMe2 Groups; Application to Stabilize of the Transition State of the Intramolecular SN2 Reaction on Boron Atom and to Synthesize Completely Planar Palladium (0) Complex bearing NCN pincer ligand Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 1759.04
Cell parameters: 10.726; 12.542; 13.08; 90; 91.437; 90;

COD ID: 4100043
CIF file	Formula: - C18 H19 B Cl2 N2 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 1719 Cell parameters: 12.777; 12.551; 10.72; 90; 90.546; 90;

COD ID: 4100044
CIF file	Formula: - C22 H17 B O4 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/a 1 Cell volume: 1724.21 Cell parameters: 11.962; 7.228; 20.281; 90; 100.49; 90;

COD ID: 4100045
CIF file	Formula: - C23 H19 B O5 - Comments: Journal of the American Chemical Society (2005) Space group: P c a 21 Cell volume: 1985.7 Cell parameters: 9.867; 14.292; 14.081; 90; 90; 90;

COD ID: 4100046
CIF file	Formula: - C22 H17 B O2 S2 - Comments: Journal of the American Chemical Society (2005) Space group: P n m a Cell volume: 1939.4 Cell parameters: 8.493; 14.313; 15.954; 90; 90; 90;

COD ID: 4100047
CIF file	Formula: - C18 H19 B O4 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 5020.7 Cell parameters: 18.729; 13.177; 21.8; 90; 111.059; 90;

COD ID: 4100048
CIF file	Formula: - C16 H13 B F2 O2 - Comments: Journal of the American Chemical Society (2005) Space group: P n a 21 Cell volume: 2704.4 Cell parameters: 12.187; 6.823; 32.524; 90; 90; 90;

COD ID: 4100049
CIF file	Formula: - C16 H13 B Cl2 O2 - Comments: Journal of the American Chemical Society (2005) Space group: P m n 21 Cell volume: 714.55 Cell parameters: 6.95; 9.08; 11.323; 90; 90; 90;

COD ID: 4100050
CIF file	Formula: - C16 H14 O2 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 1221.3 Cell parameters: 6.642; 12.169; 15.118; 90; 91.913; 90;

COD ID: 4100051

CIF file

Formula: - C14 H7 Br3 -
Comments: Synthesis and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton- Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 1227.48
Cell parameters: 10.153; 7.248; 17.358; 90; 106.064; 90;

COD ID: 4100052
CIF file	Formula: - C17 H13 N O2 - Comments: Synthesis and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton- Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society (2005) Space group: I 41/a :2 Cell volume: 5255.8 Cell parameters: 25.057; 25.057; 8.371; 90; 90; 90;

COD ID: 4100053

CIF file

Formula: - C19 H20 B2 F7 O4 -
Comments: Synthesis and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton- Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 2064.2
Cell parameters: 10.981; 14.701; 13.43; 90; 107.81; 90;

COD ID: 4100054
CIF file	Formula: - C18 H42 Ni Si4 - Comments: Journal of the American Chemical Society (2005) Space group: C 1 2/c 1 Cell volume: 2617 Cell parameters: 16.537; 12.438; 12.723; 90; 90.155; 90;

COD ID: 4100055
CIF file	Formula: - C18 H42 Ni Si4 - Comments: Journal of the American Chemical Society (2005) Space group: C 1 2/c 1 Cell volume: 2554.1 Cell parameters: 10.969; 19.144; 12.491; 90; 103.151; 90;

COD ID: 4100056
CIF file	Formula: - C18 H42 Ni Si4 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 2631.3 Cell parameters: 12.364; 10.2697; 21.0044; 90; 99.389; 90;

COD ID: 4100057
CIF file	Formula: - C18 H42 Br2 Ni2 Si4 - Comments: Journal of the American Chemical Society (2005) Space group: C 1 2/c 1 Cell volume: 2976 Cell parameters: 14.819; 23.37; 11.251; 90; 130.197; 90;

COD ID: 4100058
CIF file	Formula: - C18 H42 I2 Ni2 Si4 - Comments: Journal of the American Chemical Society (2005) Space group: C 2 2 21 Cell volume: 6159 Cell parameters: 16.448; 19.038; 19.669; 90; 90; 90;

COD ID: 4100059
CIF file	Formula: - C24 H36 Cs Ni O9 S10 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1832.9 Cell parameters: 10.7634; 12.8715; 13.466; 84.967; 87.007; 80.751;

COD ID: 4100060
CIF file	Formula: - C24 H36 Cs Ni O9 S10 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1841 Cell parameters: 10.774; 12.901; 13.481; 84.828; 86.932; 80.859;

COD ID: 4100061
CIF file	Formula: - C24 H36 Cs Ni O9 S10 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1844.9 Cell parameters: 10.7902; 12.9099; 13.4876; 84.719; 86.876; 80.733;

COD ID: 4100062
CIF file	Formula: - C24 H36 Cs Ni O9 S10 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1850.9 Cell parameters: 10.8075; 12.9228; 13.4987; 84.676; 86.905; 80.678;

COD ID: 4100063
CIF file	Formula: - C24 H36 Cs N3 Ni O9 S10 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1854.5 Cell parameters: 10.81; 12.929; 13.526; 84.43; 86.974; 80.52;

COD ID: 4100064
CIF file	Formula: - C24 H36 Cs Ni O9 S10 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1862.6 Cell parameters: 10.821; 12.935; 13.566; 84.37; 87.094; 80.51;

COD ID: 4100065
CIF file	Formula: - C24 H36 Cs Ni O9 S10 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1856.5 Cell parameters: 10.804; 12.906; 13.573; 84.226; 87.3; 80.552;

COD ID: 4100066
CIF file	Formula: - C24 H36 Cs Ni O9 S10 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1867.2 Cell parameters: 10.798; 12.928; 13.642; 84.02; 87.631; 80.447;

COD ID: 4100067
CIF file	Formula: - C24 H36 Cs Ni O9 S10 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1881.8 Cell parameters: 10.802; 12.956; 13.709; 83.92; 87.898; 80.611;

COD ID: 4100068
CIF file	Formula: - C24 H36 Cs Ni O9 S10 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1886.3 Cell parameters: 10.774; 12.977; 13.751; 84.03; 88.06; 80.62;

COD ID: 4100069
CIF file	Formula: - C24 H36 Cs Ni O9 S10 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1907.3 Cell parameters: 10.782; 13.05; 13.818; 84.03; 87.93; 80.58;

COD ID: 4100070
CIF file	Formula: - C24 H36 Cs Ni O9 S10 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1908.4 Cell parameters: 10.787; 13.061; 13.808; 83.94; 88.09; 80.613;

COD ID: 4100071
CIF file	Formula: - C24 H40 Fe N2 S4 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 1322.7 Cell parameters: 7.3798; 13.422; 13.582; 90; 100.51; 90;

COD ID: 4100072
CIF file	Formula: - C47 H58 As Co S4 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 4637.1 Cell parameters: 11.4045; 13.0763; 31.143; 90; 93.2; 90;

COD ID: 4100073
CIF file	Formula: - C35 H36 Co O P S Si - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 3139.1 Cell parameters: 9.9942; 9.5495; 33.038; 90; 95.405; 90;

COD ID: 4100074
CIF file	Formula: - C1.65 H10 N0.82 O5.24 Se U0.59 - Comments: Journal of the American Chemical Society (2005) Space group: I 2 m m Cell volume: 15251.5 Cell parameters: 10.8864; 29.532; 47.439; 90; 90; 90;

COD ID: 4100075
CIF file	Formula: - C12 H14 Br N O2 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21 1 Cell volume: 583.8 Cell parameters: 7.7697; 5.6329; 13.56; 90; 100.345; 90;

COD ID: 4100076
CIF file	Formula: - C61 H58 B Cr F24 N2 O Si - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 6405.4 Cell parameters: 13.628; 25.586; 18.371; 90; 90.579; 90;

COD ID: 4100077
CIF file	Formula: - C22 H8 Cr2 Fe N2 O10 - Comments: Siemeling, Ulrich; Rother, Dag; Fink, Heinrich Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 2337 Cell parameters: 6.6386; 18.4782; 19.224; 90; 97.679; 90;

COD ID: 4100078
CIF file	Formula: - C12 H8 Au2 Cl2 Fe N2 - Comments: Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 1402.7 Cell parameters: 6.48; 9.274; 23.403; 90; 94.18; 90;

COD ID: 4100079
CIF file	Formula: - C4 H3 F N2 O2 - Comments: Hulme, Ashley T.; Tocher, Derek A. Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 966.4 Cell parameters: 8.6329; 9.156; 12.5796; 99.119; 100.021; 90.017;

COD ID: 4100080
CIF file	Formula: - C4 H3 F N2 O2 - Comments: Hulme, Ashley T.; Tocher, Derek A. Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 482.4 Cell parameters: 5.154; 15.001; 6.654; 90; 110.336; 90;

COD ID: 4100081
CIF file	Formula: - C4 H3 F N2 O2 - Comments: Hulme, Ashley T.; Tocher, Derek A. Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 470.72 Cell parameters: 5.0433; 14.935; 6.6049; 90; 108.884; 90;

COD ID: 4100082
CIF file	Formula: - C32 H62 Li N2 O2 Pr S2 Si4 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 2211.4 Cell parameters: 8.693; 11.595; 22.719; 103.694; 95.94; 90.653;

COD ID: 4100083
CIF file	Formula: - C78 H118 Cl Li N4 Nd4 S8 Si8 - Comments: Journal of the American Chemical Society (2005) Space group: C 1 2/c 1 Cell volume: 10669.3 Cell parameters: 18.305; 24.227; 24.326; 90; 98.52; 90;

COD ID: 4100084
CIF file	Formula: - C52 H100 Cl5 Li N4 O S4 Si8 Sm4 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 4401.8 Cell parameters: 13.7062; 17.0964; 19.882; 75.817; 83.698; 77.496;

COD ID: 4100085
CIF file	Formula: - C48 H120 Cl4 Li2 N4 O6 Pr2 Si8 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1948.8 Cell parameters: 12.201; 13.088; 15.082; 101.45; 106.858; 114.631;

COD ID: 4100086
CIF file	Formula: - C40 H104 Cl4 Li2 N4 O4 Si8 Sm2 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 3514.5 Cell parameters: 13.1658; 19.81; 13.5111; 90; 94.19; 90;

COD ID: 4100087
CIF file	Formula: - C64 H124 Cl Co N13 O31 P - Comments: Journal of the American Chemical Society (2005) Space group: P 21 21 21 Cell volume: 33057 Cell parameters: 29.486; 29.833; 37.579; 90; 90; 90;

COD ID: 4100088
CIF file	Formula: - C64 H127 Co N13 O32 P - Comments: Properties and Reactivity of Chlorovinylcobalamin and Vinylcobalamin and Their Implications for Vitamin B~12~-Catalyzed Reductive Dechlorination of Chlorinated Alkenes Journal of the American Chemical Society (2005) Space group: P 21 21 21 Cell volume: 8999 Cell parameters: 15.806; 22.471; 25.338; 90; 90; 90;

COD ID: 4100089
CIF file	Formula: - C9 H18 O6 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 1160.1 Cell parameters: 13.788; 10.664; 7.894; 90; 91.77; 90;

COD ID: 4100090
CIF file	Formula: - C25 H36 N14 O13 Pt S - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21 1 Cell volume: 3769 Cell parameters: 10.838; 31.965; 11.817; 90; 112.987; 90;

COD ID: 4100091
CIF file	Formula: - C25 H44 N14 O14 Pt S - Comments: Barry, Colin G.; Day, Cynthia S.; Bierbach, Ulrich Duplex Promoted Platination of Adenine-N3 in the Minor Groove of DNA. Challenging a Longstanding Bioinorganic Paradigm Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1911.2 Cell parameters: 10.3067; 13.3068; 15.1285; 78.244; 82.033; 70.672;

COD ID: 4100092

CIF file

Formula: - C40 H52 N4 Ni -
Comments: Yujiang Song; Raid E. Haddad; Song-Ling Jia; Saphon Hok; Marilyn M. Olmstead; Daniel J. Nurco; Neal E. Schore; Jun Zhang; Jian-Guo Ma; Kevin M. Smith; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins Journal of the American Chemical Society 127 (2005) 1179-1192
Space group: P -1
Cell volume: 6677.7
Cell parameters: 16.812; 20.01; 21.378; 94.557; 97.004; 109.382;

COD ID: 4100093

CIF file

Formula: - C40 H52 N4 Ni -
Comments: Yujiang Song; Raid E. Haddad; Song-Ling Jia; Saphon Hok; Marilyn M. Olmstead; Daniel J. Nurco; Neal E. Schore; Jun Zhang; Jian-Guo Ma; Kevin M. Smith; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins Journal of the American Chemical Society 127 (2005) 1179-1192
Space group: P -1
Cell volume: 1678.3
Cell parameters: 8.4141; 13.293; 15.281; 82.965; 81.68; 88.189;

COD ID: 4100094
CIF file	Formula: - C14 H16 O3 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 2177.8 Cell parameters: 14.931; 9.77; 14.931; 90; 90.94; 90;

COD ID: 4100095
CIF file	Formula: - C14 H16 O3 - Comments: Journal of the American Chemical Society (2005) Space group: P 21 21 21 Cell volume: 1101.4 Cell parameters: 7.0339; 9.7592; 16.0454; 90; 90; 90;

COD ID: 4100096
CIF file	Formula: - C14 H16 O2 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 1086.6 Cell parameters: 8.1004; 10.1648; 13.3393; 90; 98.399; 90;

COD ID: 4100097
CIF file	Formula: - C14 H20 O3 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 1214.9 Cell parameters: 12.7483; 8.5538; 11.2196; 90; 96.766; 90;

COD ID: 4100098
CIF file	Formula: - C21 H22 N2 O9 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 2000.7 Cell parameters: 6.5607; 12.2817; 25.088; 88.583; 87.417; 82.263;

COD ID: 4100099
CIF file	Formula: - C15 H19 N O3 S - Comments: Journal of the American Chemical Society (2005) Space group: P 21 21 21 Cell volume: 1572 Cell parameters: 8.3728; 10.2615; 18.297; 90; 90; 90;

COD ID: 4100100
CIF file	Formula: - C17 H21 N O3 - Comments: Journal of the American Chemical Society (2005) Space group: C 1 c 1 Cell volume: 1618.5 Cell parameters: 14.856; 9.209; 12.593; 90; 110.039; 90;

COD ID: 4100101
CIF file	Formula: - C15 H26 Cl N O - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21 1 Cell volume: 819.5 Cell parameters: 7.8777; 7.7795; 13.672; 90; 102.036; 90;

COD ID: 4100102
CIF file	Formula: - C58 H70 Cl8 Fe2 P2 Pd2 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21 1 Cell volume: 2926.7 Cell parameters: 13.5209; 15.1921; 15.0232; 90; 108.483; 90;

COD ID: 4100103
CIF file	Formula: - C184 H150 Cl10 N44 O46 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 18065.4 Cell parameters: 27.8066; 14.6508; 44.3633; 90; 91.67; 90;

COD ID: 4100104
CIF file	Formula: - C17 H19 S - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 1344.8 Cell parameters: 31.075; 7.395; 5.866; 90; 93.97; 90;

COD ID: 4100105
CIF file	Formula: - C22 H14 S2 - Comments: Journal of the American Chemical Society (2005) Space group: P c c n Cell volume: 1566.7 Cell parameters: 34.243; 7.5118; 6.0908; 90; 90; 90;

COD ID: 4100106
CIF file	Formula: - C17 H17 Cl N2 O2 - Comments: Hideko Koshima Journal of the American Chemical Society (2005) Space group: P 21 21 21 Cell volume: 1585.2 Cell parameters: 15.141; 16.7; 6.269; 90; 90; 90;

COD ID: 4100107
CIF file	Formula: - C70 H90 N4 - Comments: Jeremiah A Marsden; MIke M. Haley; Fusen Han Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1494.92 Cell parameters: 11.2352; 11.5362; 13.4393; 65.127; 71.281; 79.797;

COD ID: 4100108
CIF file	Formula: - C54 H54 N4 O4 - Comments: Jeremiah A Marsden; MIke M. Haley; Fusen Han Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 2334.1 Cell parameters: 13.001; 13.594; 14.847; 112.913; 90.637; 103.57;

COD ID: 4100109
CIF file	Formula: - C33 H36 N3 Rh - Comments: Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J. Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 2789.9 Cell parameters: 11.4645; 17.7575; 13.7191; 90; 92.69; 90;

COD ID: 4100110
CIF file	Formula: - C68 H75 Ag2 B2 F8 N7 Rh2 - Comments: Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J. Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 3209.8 Cell parameters: 13.552; 16.2471; 16.6517; 77.66; 68.107; 71.664;

COD ID: 4100111
CIF file	Formula: - C38 H39 Ag3 F9 N4 O9 Rh S3 - Comments: Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J. Journal of the American Chemical Society (2005) Space group: P 1 21/c 1 Cell volume: 4699.9 Cell parameters: 21.9776; 10.6829; 21.8444; 90; 113.597; 90;

COD ID: 4100112
CIF file	Formula: - C22 H35 N O3 - Comments: Journal of the American Chemical Society (2005) Space group: P 21 21 21 Cell volume: 2295.8 Cell parameters: 6.6718; 12.839; 26.802; 90; 90; 90;

COD ID: 4100113
CIF file	Formula: - C80 H104 F6 N10 O15 - Comments: Journal of the American Chemical Society (2005) Space group: P 21 21 21 Cell volume: 8943.3 Cell parameters: 9.639; 23.908; 38.807; 90; 90; 90;

COD ID: 4100114
CIF file	Formula: - C24 H22 As F6 N2 O2 S12 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 856.03 Cell parameters: 6.4102; 7.5058; 17.987; 83.523; 86.529; 85.458;

COD ID: 4100115
CIF file	Formula: - C24 H22 As F6 N2 O2 S12 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 Cell volume: 850.6 Cell parameters: 6.3918; 7.502; 17.941; 83.197; 86.638; 85.548;

COD ID: 4100116
CIF file	Formula: - C24 H22 As F6 N2 O2 S12 - Comments: Journal of the American Chemical Society (2005) Space group: P 1 Cell volume: 849.41 Cell parameters: 6.3962; 7.4884; 17.94; 83.13; 86.579; 85.52;

COD ID: 4100117
CIF file	Formula: - C38 H37 F3 O3 P2 Ru S - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21 1 Cell volume: 1727.9 Cell parameters: 9.4151; 17.713; 10.369; 90; 92.19; 90;

COD ID: 4100118
CIF file	Formula: - C42 H46 F3 N O4 P2 Ru S - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 1955.7 Cell parameters: 10.976; 11.496; 16.223; 96.64; 102.89; 97.58;

COD ID: 4100119
CIF file	Formula: - C54 H120 Co K O9 Si8 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 3632.9 Cell parameters: 14.263; 15.89; 16.205; 93.177; 94.693; 95.974;

COD ID: 4100120
CIF file	Formula: - C64 H136 Co K N2 O10 Si8 - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 4037.2 Cell parameters: 12.974; 16.173; 20.167; 91.686; 103.374; 100.456;

COD ID: 4100121
CIF file	Formula: - C51 H82 B F4 N2 O1.5 P2 Ru - Comments: Journal of the American Chemical Society (2005) Space group: P -1 Cell volume: 5071.1 Cell parameters: 13.6055; 18.4233; 21.069; 75.016; 83.936; 89.959;

COD ID: 4100122

CIF file

Formula: - C21 H13 O5 P W -
Comments: Borst, Mark L. G.; Bulo, R. E.; Winkel, Christiaan W.; Gibney, Daniele J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop Phosphepines: Convenient Access to Phosphinidene Complexes Journal of the American Chemical Society (2005)
Space group: P n m a
Cell volume: 2031.42
Cell parameters: 16.6552; 10.3703; 11.7614; 90; 90; 90;

COD ID: 4100123
CIF file	Formula: - C23 H18 Mn O2 P - Comments: Journal of the American Chemical Society (2005) Space group: P 1 21/m 1 Cell volume: 944.939 Cell parameters: 8.8819; 10.268; 10.9361; 90; 108.66; 90;

COD ID: 4100124
CIF file	Formula: ? Comments: Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand Journal of the American Chemical Society (2005) Space group: P 1 21/n 1 Cell volume: 3085.2 Cell parameters: 14.459; 11.522; 19.651; 90; 109.542; 90;

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