Crystallography Open Database

Information card for entry 4102014

4102013 << 4102014 >> 4102015

Preview

Coordinates	4102014.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(μ-2,3-dimethylbut-2-en-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane}chlorotungsten)]
Formula	C64 H57 Cl2 N O4 P4 W2
Calculated formula	C64 H57 Cl2 N O4 P4 W2
Title of publication	Electronic Communication in Dinuclear C4-Bridged Tungsten Complexes
Authors of publication	Sergey N. Semenov; Olivier Blacque; Thomas Fox; Koushik Venkatesan; Heinz Berke
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	3115 - 3127
a	19.357 ± 0.003 Å
b	11.0318 ± 0.001 Å
c	30.138 ± 0.004 Å
α	90°
β	107.685 ± 0.014°
γ	90°
Cell volume	6131.6 ± 1.4 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178766 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/20.	4102014.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4102014.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102014.cif
24833	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4102014 via cif-deposit CGI script.	4102014.cif