Crystallography Open Database

Information card for entry 7211352

Preview

Coordinates	7211352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Cd2 N6 O10
Calculated formula	C20 H18 Cd2 N6 O10
Title of publication	Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands
Authors of publication	Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	46
Pages of publication	9980
a	12.2094 ± 0.001 Å
b	10.709 ± 0.0009 Å
c	18.4149 ± 0.0015 Å
α	90°
β	92.646 ± 0.001°
γ	90°
Cell volume	2405.2 ± 0.3 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	0.0239
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0509
Weighted residual factors for all reflections included in the refinement	0.0532
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180444 (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 7/21/13.	7211352.cif
91438	2013-12-13	cif/ Adding structures of 7211350, 7211351, 7211352, 7211353 via cif-deposit CGI script.	7211352.cif