Crystallography Open Database

Information card for entry 7111574

Preview

Coordinates	7111574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 Cs5.64 Cu80 N24 S120 Sn30
Calculated formula	C24 Cs5.64 Cu80 N24 S120 Sn30
Title of publication	(H2en)2Cu8Sn3S12: a trigonal CuS3-based open-framework sulfide with interesting ion-exchange properties
Authors of publication	Zhang, Ren-Chun; Yao, Hua-Gang; Ji, Shou-Hua; Liu, Mei-Chen; Ji, Min; An, Yong-Lin
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	25
Pages of publication	4550 - 4552
a	25.3455 ± 0.0015 Å
b	25.3455 ± 0.0015 Å
c	25.3455 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	16281.8 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	222
Hermann-Mauguin space group symbol	P n -3 n :2
Hall space group symbol	-P 4a 2bc 3
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.1934
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
180229 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111574.cif
96670	2014-01-29	cif/ Adding structures of 7111573, 7111574 via cif-deposit CGI script.	7111574.cif