Crystallography Open Database

Information card for entry 4310280

Preview

Coordinates	4310280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br12 Cs4 Mo6 S2
Calculated formula	Br12.103 Cs4 Mo6 S1.897
Title of publication	Synthesis and Characterization of Mo6 Chalcobromides and Cyano-Substituted Compounds Built from a Novel [(Mo6Bri6Yi2)La6]n- Discrete Cluster Unit (Yi= S or Se and La= Br or CN)
Authors of publication	Stéphane Cordier; Nikolaï G. Naumov; Diala Salloum; Frédéric Paul; Christiane Perrin
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	219 - 226
a	11.511 ± 0.005 Å
b	18.772 ± 0.005 Å
c	28.381 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	6133 ± 3 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	0.953
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179141 (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 4/31/02.	4310280.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310280.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310280.cif
1768	2010-11-06	../uploads/cif-deposit/cod/cif Adding structures of 4310280 via cif-deposit CGI script.	4310280.cif