Crystallography Open Database

Information card for entry 7205334

7205333 << 7205334 >> 7205335

Preview

Coordinates	7205334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H54 As2 N8 O18 S2 Zn2
Calculated formula	C52 H52 As2 N8 O18 S2 Zn2
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	10.32 ± 0.003 Å
b	14.576 ± 0.004 Å
c	20.283 ± 0.006 Å
α	79.202 ± 0.007°
β	83.149 ± 0.006°
γ	88.874 ± 0.008°
Cell volume	2975.6 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1028
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1746
Weighted residual factors for all reflections included in the refinement	0.2012
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	7205334.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205334.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205334.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.	7205334.cif