Crystallography Open Database

Information card for entry 8102864

Preview

Coordinates	8102864.cif

Structure parameters

Chemical name	[Cu(C11H6NO4)2]
Formula	C22 H12 Cu N2 O8
Calculated formula	C22 H12 Cu N2 O8
Title of publication	Crystal structure of bis(hydrogen 2,3-quinolinedicarboxylato)copper(II), Cu(C11H6NO4)2
Authors of publication	Xiao-Ling Li; Guang-Zhen Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	4
Pages of publication	761
a	12.6992 ± 0.0014 Å
b	5.801 ± 0.0007 Å
c	13.5977 ± 0.0015 Å
α	90°
β	115.89 ± 0.001°
γ	90°
Cell volume	901.18 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102864.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102864.cif
13603	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102864 via cif-deposit CGI script.	8102864.cif