Crystallography Open Database

Information card for entry 7205365

7205364 << 7205365 >> 7205366

Preview

Coordinates	7205365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H4 Br Cd N3 S
Calculated formula	C3 H4 Br Cd N3 S
Title of publication	Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand
Authors of publication	Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	5
Pages of publication	1697
a	10.8254 ± 0.0005 Å
b	7.8337 ± 0.0003 Å
c	17.8083 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1510.2 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0261
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0522
Weighted residual factors for all reflections included in the refinement	0.054
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
180384 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/53.	7205365.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205365.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205365.cif
14640	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205362, 7205363, 7205364, 7205365, 7205366, 7205367 via cif-deposit CGI script.	7205365.cif