Crystallography Open Database

Information card for entry 8102215

Preview

Coordinates	8102215.cif
External links	PubChem

Structure parameters

Chemical name	hexakis(imidazole)cadmium(II) dibenzoate
Formula	C32 H34 Cd N12 O4
Calculated formula	C32 H34 Cd N12 O4
Title of publication	Crystal structure of hexakis(imidazole)cadmium(II) dibenzoate, [Cd(C3H4N2)6][C7H5O2]2
Authors of publication	Ya-Li Hu; Ting-Bin Li; Ji-Kun Li; Guo-Fang He
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	1
Pages of publication	85
a	7.644 ± 0.0002 Å
b	10.6206 ± 0.0003 Å
c	11.8572 ± 0.0003 Å
α	73.865 ± 0.001°
β	79.684 ± 0.001°
γ	73.327 ± 0.001°
Cell volume	880.64 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0234
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8102215.cif
176728	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.	8102215.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102215.cif
12954	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102215 via cif-deposit CGI script.	8102215.cif