Crystallography Open Database

Information card for entry 7111573

Preview

Coordinates	7111573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 Cu80 N24 S120 Sn30
Calculated formula	C24 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	25.4484 ± 0.0004 Å
b	25.4484 ± 0.0004 Å
c	25.4484 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	16480.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0566
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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