Crystallography Open Database

Information card for entry 4030243

Preview

Coordinates	4030243.cif

Structure parameters

Formula	C60 H52 Cl4 Mo4 O18
Calculated formula	C48 Cl2 Mo4 O18
SMILES	[Mo]123(Cl)([O]4[Mo]56([Mo]784([O]5[Mo](Cl)([O]=C(O7)c4ccc(cc4)C)(OC(=[O]8)c4ccc(cc4)C)([O]=C(O6)c4ccc(cc4)C)=O)([O]=C(O3)c3ccc(cc3)C)=O)(=O)([O]=C(c3ccc(cc3)C)O1)OC(=[O]2)c1ccc(cc1)C)=O
Title of publication	Synthesis and study on structure of tetramolybdenum (V) complex [Mo4(mu3-O)2O4Cl2(p-OCOC6H4CH3)6].2C6H5Cl
Authors of publication	Chunting, Sun; Chunxiao, Guo; Yan, Jiang; Tiejin, Li; Ling, Ye; Yuguo, Fan
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1989
Journal volume	26
Pages of publication	231 - 239
a	11.869 ± 0.003 Å
b	16.896 ± 0.007 Å
c	17.586 ± 0.005 Å
α	78.72 ± 0.03°
β	74.21 ± 0.02°
γ	83.9 ± 0.03°
Cell volume	3322.8 ± 1.9 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0474
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.	4030243.cif
127858	2014-11-24	cif/ Adding structures of 4030243 via cif-deposit CGI script.	4030243.cif