Crystallography Open Database

Information card for entry 8102330

Preview

Coordinates	8102330.cif

Structure parameters

Formula	C39 H30 Cd2 N10 O8
Calculated formula	C39 H30 Cd2 N10 O8
Title of publication	Crystal structure of catena-poly[[bi(quinoxaline-2,3-diamine)-benzimidazole)trinuclear cadmium(II)]-m- benzene-1,3-dicarboxylato], {[Cd2(C8H8N4)2(C8H4O4)2]0.5 [Cd(C8H8N4)(C7H6N2)(C8H4O4)]}n
Authors of publication	Jia-Jun Wang; Yun-Cheng Cui; Li-Hui Liu; Yan-Ju Huang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	4
Pages of publication	429
a	10.2834 ± 0.0008 Å
b	10.8709 ± 0.0008 Å
c	17.6139 ± 0.0013 Å
α	78.68 ± 0.001°
β	88.197 ± 0.001°
γ	67.862 ± 0.001°
Cell volume	1786.5 ± 0.2 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 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	0.0478
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102330.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.	8102330.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102330.cif
13069	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102330 via cif-deposit CGI script.	8102330.cif