Crystallography Open Database

Information card for entry 4102011

4102010 << 4102011 >> 4102012

Preview

Coordinates	4102011.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(μ-but-2-yn-1,4-diylidyne)bis(dicarbonyl{1,2-bis(diphenylphosphino)ethane}iodotungsten)]
Formula	C62 H52 Cl4 I2 O4 P4 W2
Calculated formula	C62 H52 Cl4 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	24.5678 ± 0.0002 Å
b	13.6187 ± 0.0001 Å
c	20.6625 ± 0.0001 Å
α	90°
β	92.2971 ± 0.0006°
γ	90°
Cell volume	6907.73 ± 0.08 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	0.0388
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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.	4102011.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4102011.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102011.cif
24830	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4102011 via cif-deposit CGI script.	4102011.cif