Crystallography Open Database

Information card for entry 7211722

Preview

Coordinates	7211722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Cd N4 O4
Calculated formula	C13 H9 Cd N4 O4
Title of publication	Cadmium(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoate: topological and structural diversity tuned by counteranions
Authors of publication	Su, Zhi; Cai, Kai; Fan, Jian; Chen, Shui-Sheng; Chen, Man-Sheng; Sun, Wei-Yin
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	1
Pages of publication	100
a	13.0295 ± 0.0017 Å
b	13.8924 ± 0.0018 Å
c	7.6163 ± 0.001 Å
α	90°
β	90 ± 0.002°
γ	90°
Cell volume	1378.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
180448 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/17.	7211722.cif
92315	2014-01-12	cif/ Adding structures of 7211721, 7211722, 7211723, 7211724 via cif-deposit CGI script.	7211722.cif