Crystallography Open Database

Information card for entry 4030249

Preview

Coordinates	4030249.cif

Structure parameters

Formula	C10 H8 Cl2 Mo O8
Calculated formula	C10 H8 Cl2 Mo O8
SMILES	[Mo](Cl)(Cl)(=O)(=O)([O]=C(O)c1occc1)[O]=C(O)c1occc1
Title of publication	Structure of MoO2Cl2(C4H2OCOOH)2
Authors of publication	Qijun, Huang; Chunting, Sun; Chuoxiao, Guo; Fan, Yan; Gang, Dong; Zhongsheng, Jin; Gecheng, Wei; Yunsheng, Liu
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1989
Journal volume	26
Pages of publication	489 - 496
a	10.306 ± 0.003 Å
b	10.161 ± 0.002 Å
c	14.798 ± 0.004 Å
α	90°
β	108.52 ± 0.02°
γ	90°
Cell volume	1469.4 ± 0.7 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.04
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
178481 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/02.	4030249.cif
129699	2015-01-16	cif/4/03/02/ (saulius@kolibris) Updating the z coordinate of the C26 in 4030249.cif so that bond lengths computed from that file are closest to the values given in the paper.	4030249.cif
127886	2014-11-25	cif/ Adding structures of 4030249 via cif-deposit CGI script.	4030249.cif