Crystallography Open Database

Information card for entry 7205333

7205332 << 7205333 >> 7205334

Preview

Coordinates	7205333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 As2 Cd3 O16 S2
Calculated formula	C12 H16 As2 Cd3 O15.992 S1.996
Title of publication	Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations
Authors of publication	Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	5
Pages of publication	1480
a	12.5726 ± 0.0008 Å
b	13.0537 ± 0.0007 Å
c	14.0286 ± 0.0011 Å
α	90°
β	96.83 ± 0.005°
γ	90°
Cell volume	2286 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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.	7205333.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205333.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205333.cif
14620	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205332, 7205333, 7205334, 7205335, 7205336, 7205337, 7205338, 7205339, 7205340, 7205341, 7205342, 7205343 via cif-deposit CGI script.	7205333.cif