Crystallography Open Database

Information card for entry 8102608

Preview

Coordinates	8102608.cif

Structure parameters

Chemical name	trikis(tetramethylammonium) bis(bis(μ~2~- sulfido)-dithioxo-molybdenum(VI))-copper(I)
Formula	C12 H36 Cu Mo2 N3 S8
Calculated formula	C12 H36 Cu Mo2 N3 S8
Title of publication	Crystal structure of tris(tetramethylammonium) tetrakis(m2-sulfido)-tetrasulfidocopper(I)-dimolybdenum(VI), [N(CH3)4]3[CuMo2S8]
Authors of publication	Yuan Cao; Guosheng Cheng; Yulin Chen; Guozhu Shen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	111
a	9.0866 ± 0.0013 Å
b	9.0866 ± 0.0013 Å
c	67.938 ± 0.014 Å
α	90°
β	90°
γ	120°
Cell volume	4857.9 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8102608.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102608.cif
13347	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102608 via cif-deposit CGI script.	8102608.cif