Crystallography Open Database

Information card for entry 7028893

Preview

Coordinates	7028893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 O6 P W
Calculated formula	C27 H21 O6 P W
SMILES	C(c1ccccc1)(c1ccccc1)(c1ccccc1)[PH](OCC=C)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Synthesis of Li/OR phosphinidenoid complexes: on the evidence for intramolecular O-Li donation and the effect of cation encapsulation.
Authors of publication	Streubel, Rainer; Kyri, Andreas Wolfgang; Duan, Lili; Schnakenburg, Gregor
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	2088 - 2097
a	12.1595 ± 0.0002 Å
b	10.5241 ± 0.0003 Å
c	19.7949 ± 0.0005 Å
α	90°
β	97.6003 ± 0.0014°
γ	90°
Cell volume	2510.86 ± 0.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0678
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
179994 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/88.	7028893.cif
105457	2014-03-12	cif/ Adding structures of 7028893, 7028894, 7028895, 7028896, 7028897, 7028898, 7028899, 7028900, 7028901 via cif-deposit CGI script.	7028893.cif