Crystallography Open Database

Information card for entry 4083217

Preview

Coordinates	4083217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H13 O10 P W
Calculated formula	C17 H13 O10 P W
SMILES	[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P@@]1(C)C(=O)[C@H]2C=C[C@@H]1C(=C2C(=O)OC)C(=O)OC.[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P@]1(C)C(=O)[C@@H]2C=C[C@H]1C(=C2C(=O)OC)C(=O)OC
Title of publication	Generation and Reactivity of Methylphosphaketene in the Coordination Sphere of Tungsten
Authors of publication	Mao, Yanli; Wang, Zhiyue; Ganguly, Rakesh; Mathey, François
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	13
Pages of publication	4786
a	11.5045 ± 0.0004 Å
b	25.1151 ± 0.0009 Å
c	6.8545 ± 0.0002 Å
α	90°
β	92.643 ± 0.001°
γ	90°
Cell volume	1978.41 ± 0.11 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
178721 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/32.	4083217.cif
113646	2014-05-13	cif/ Adding structures of 4083217 via cif-deposit CGI script.	4083217.cif