Crystallography Open Database

Information card for entry 1518916

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Coordinates	1518916.cif

Structure parameters

Formula	C42 H36 Cl4 Cr N12 W2
Title of publication	Completing the series of Group VI heterotrimetallic M2Cr(dpa)4Cl2 (M2 = Cr2, Mo2, MoW and W2) compounds and investigating their metal-metal interactions using density functional theory
Authors of publication	David W. Brogden; Jonathan H. Christian; Naresh S. Dalal; John F. Berry
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	424
Pages of publication	241 - 247
a	18.892 ± 0.0005 Å
b	16.1395 ± 0.0004 Å
c	15.9997 ± 0.0004 Å
α	90°
β	113.56 ± 0.001°
γ	90°
Cell volume	4471.8 ± 0.2 Å³
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0678
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518916.cif
175419	2016-02-02	cif/ Replacing parameters of a dummy hydrogen atom with question mark in order for the structure to be identified as having no coordinates.	1518916.cif
134498	2015-03-28	cif/ Adding structures of 1518916 via cif-deposit CGI script.	1518916.cif