Crystallography Open Database

Information card for entry 4316488

Preview

Coordinates	4316488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H27 Cu7 N6 S12 Sn4
Calculated formula	C6 H27 Cu6.98 N6 S12 Sn4.02
Title of publication	New Three-Dimensional Thiostannates Composed of Linked Cu8S12 Clusters and the First Example of a Mixed-Metal Cu7SnS12 Cluster
Authors of publication	Malte Behrens; Marie-Eve Ordolff; Christian Näther; Wolfgang Bensch; Klaus-Dieter Becker; Catherine Guillot-Deudon; Alain Lafond; Jason A. Cody
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	8305 - 8309
a	13.5317 ± 0.0019 Å
b	13.5317 ± 0.0019 Å
c	28.933 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	4588.1 ± 1.3 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.22
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179244 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/64.	4316488.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316488.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316488.cif
9691	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316488 via cif-deposit CGI script.	4316488.cif