Crystallography Open Database

Information card for entry 4083218

Preview

Coordinates	4083218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 N O5 P W
Calculated formula	C18 H22 N O5 P W
SMILES	[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[PH](C)Nc1c(C(C)C)cccc1C(C)C
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	7.3278 ± 0.0004 Å
b	9.5939 ± 0.0006 Å
c	14.7198 ± 0.0009 Å
α	92.056 ± 0.002°
β	90.503 ± 0.001°
γ	95.518 ± 0.001°
Cell volume	1029.3 ± 0.11 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0245
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.054
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4083218.cif
113647	2014-05-13	cif/ Adding structures of 4083218 via cif-deposit CGI script.	4083218.cif