Crystallography Open Database

Information card for entry 4102015

4102014 << 4102015 >> 4102016

Preview

Coordinates	4102015.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(μ-but-2-yn-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane} chlorotungsten)]
Formula	C66 H54 Cl2 O4 P4 W2
Calculated formula	C66 H54 Cl2 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	24.9296 ± 0.0002 Å
b	12.9619 ± 0.0002 Å
c	20.4535 ± 0.0002 Å
α	90°
β	92.7816 ± 0.001°
γ	90°
Cell volume	6601.45 ± 0.13 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 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 all reflections	0.044
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
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.	4102015.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4102015.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102015.cif
24834	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4102015 via cif-deposit CGI script.	4102015.cif