Crystallography Open Database

Information card for entry 4102013

4102012 << 4102013 >> 4102014

Preview

Coordinates	4102013.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}iodotungsten)]
Formula	C62 H54 I2 O4 P4 W2
Calculated formula	C62 H54 I2 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	11.6313 ± 0.0005 Å
b	8.9452 ± 0.0004 Å
c	27.3906 ± 0.001 Å
α	90°
β	94.231 ± 0.004°
γ	90°
Cell volume	2842.1 ± 0.2 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1564
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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.	4102013.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4102013.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102013.cif
24832	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4102013 via cif-deposit CGI script.	4102013.cif