Crystallography Open Database

Information card for entry 4309013

Preview

Coordinates	4309013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 Br0.5 K2.5 Mo3 O16 Se7
Calculated formula	C6 Br0.5 K2.5 Mo3 O16 Se7
Title of publication	Cluster Oxalate Complexes [M3(μ3-Q)(μ2-Q2)3(C2O4)3]2- and [Mo3(μ3-Q)(μ2-Q)3(C2O4)3(H2O)3]2- (M = Mo, W; Q = S, Se): Mechanochemical Synthesis and Crystal Structure
Authors of publication	Maxim N. Sokolov; Artyom L. Gushchin; Dmitrii Yu. Naumov; Olga A. Gerasko; Vladimir P. Fedin
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2431 - 2436
a	15.0725 ± 0.0008 Å
b	13.5246 ± 0.0008 Å
c	27.3192 ± 0.0015 Å
α	90°
β	100.878 ± 0.001°
γ	90°
Cell volume	5468.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4309013.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309013.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309013.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309013.cif