Crystallography Open Database

Information card for entry 4310283

Preview

Coordinates	4310283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H252 Br18 Cs0.4 K0.6 Mo18 N29 O16 Se6
Calculated formula	C105.6 Br18 Cs0.436 K0.56 Mo18 N29 O16.434 Se6
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	17.2351 ± 0.0003 Å
b	17.2351 ± 0.0003 Å
c	17.2351 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5119.66 ± 0.15 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	9
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation probe	x-ray
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
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.	4310283.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310283.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310283.cif
1771	2010-11-06	../uploads/cif-deposit/cod/cif Adding structures of 4310283 via cif-deposit CGI script.	4310283.cif