Crystallography Open Database

Information card for entry 7115222

Preview

Coordinates	7115222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 N2 O7 P Si2 W
Calculated formula	C23 H29 N2 O7 P Si2 W
SMILES	[W]([P]1(N=C(N=C1C(=O)OCC)c1ccccc1)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Photochemically generated nitrilium phosphane-ylid tungsten complexes and their reactivity towards alkyne and nitrile derivatives
Authors of publication	Streubel, Rainer; Wilkens, Hendrik; Jones, Peter G.
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	20
Pages of publication	2127
a	10.5466 ± 0.001 Å
b	10.701 ± 0.0011 Å
c	13.8717 ± 0.0014 Å
α	79.915 ± 0.003°
β	82.215 ± 0.003°
γ	75.406 ± 0.003°
Cell volume	1484.8 ± 0.3 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0206
Residual factor for significantly intense reflections	0.0186
Weighted residual factors for significantly intense reflections	0.0433
Weighted residual factors for all reflections included in the refinement	0.0438
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
180266 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/52.	7115222.cif
120147	2014-07-12	cif/ Adding structures of 7115222 via cif-deposit CGI script.	7115222.cif