Crystallography Open Database

Information card for entry 4337537

Preview

Coordinates	4337537.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	fac-trichlorotris(trimethylphosphine)tungsten(III)
Formula	C9 H27 Cl3 P3 W
Calculated formula	C9 H27 Cl3 P3 W
Title of publication	Element misidentification in X-ray crystallography: a reassessment of the [MCl2(diazadiene)] (M = Cr, Mo, W) series.
Authors of publication	Greene, Angelique F.; Chandrasekaran, P.; Yan, Yong; Mague, Joel T.; Donahue, James P.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	308 - 317
a	31.074 ± 0.012 Å
b	31.074 ± 0.012 Å
c	13.293 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	11116 ± 7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179478 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/75.	4337537.cif
106458	2014-03-15	cif/ Adding structures of 4337536, 4337537, 4337538, 4337539 via cif-deposit CGI script.	4337537.cif