Crystallography Open Database





Information card for 2016991

2016990 << 2016991 >> 2016992

Preview

To alter the display settings, right click on the Jmol display.
Several types of unit cells can be loaded under the symmetry submenu.


Coordinates

2016991.cif

Structure factors

2016991.hkl

Original IUCr paper

HTML

Structure parameters

Chemical name 8-hydroxyquinolinium hydrogen maleate
Formula - C13 H11 N O5 -
Calculated formula - C13 H11 N O5 -
Title of publication Salts of maleic and fumaric acids with oxine: the role of isomeric acids in hydrogen-bonding patterns
Authors of publication Franklin, S.; Balasubramanian, T.
Journal of publication Acta Crystallographica Section C
Year of publication 2009
Journal volume 65
Journal issue 2
Pages of publication o58 - o61
a 5.3777 ± 0.0003 Å
b 10.0563 ± 0.0007 Å
c 22.4243 ± 0.0012 Å
α 90°
β 90°
γ 90°
Cell volume 1212.7 ± 0.13 Å3
Cell temperature 273 K
Ambient diffraction temperature 273 K
Number of distinct elements 4
Hermann-Mauguin symmetry space group P 21 21 21
Hall symmetry space group P 2ac 2ab
Residual factor for all reflections 0.0771
Residual factor for observed reflections 0.053
Weighted residual factors for the observed reflections 0.121
Weighted residual factors for all reflections included in the refinement 0.1337
Goodness-of-fit parameter for observed reflections 1.161
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs Yes

Top of the page