Crystallography Open Database

Information card for entry 4105310

Preview

Coordinates	4105310.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AsPW(CO)5 Butadiene trap
Formula	C17 H20 As O5 P W
Calculated formula	C17 H20 As O5 P W
SMILES	[W]([P]12[As](CC(=C(C1)C)C)CC(=C(C2)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4
Authors of publication	Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	16233 - 16243
a	15.411 ± 0.007 Å
b	7.065 ± 0.003 Å
c	18.782 ± 0.009 Å
α	90°
β	102.912 ± 0.008°
γ	90°
Cell volume	1993.3 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0273
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0518
Weighted residual factors for all reflections included in the refinement	0.0551
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178799 (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 4/10/53.	4105310.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105310.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105310.cif
30505	2011-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4105310 via cif-deposit CGI script.	4105310.cif