Crystallography Open Database

Information card for entry 4317657

Preview

Coordinates	4317657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs6 Mo4 S23.64
Calculated formula	Cs6.02 Mo4 S23.632
Title of publication	First Cubane-like Polysulfidomolybdate: Synthesis and Crystal Structure of Cs6[Mo4S23.6]
Authors of publication	Yuri V. Mironov; Anna S. Gardberg; James A. Ibers
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	1333 - 1334
a	15.8436 ± 0.0007 Å
b	15.8436 ± 0.0007 Å
c	15.8436 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3977.1 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	216
Hermann-Mauguin space group symbol	F -4 3 m
Hall space group symbol	F -4 2 3
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
179256 (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 4/31/76.	4317657.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317657.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317657.cif
13933	2011-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4317657 via cif-deposit CGI script.	4317657.cif