Crystallography Open Database

Information card for entry 4317640

Preview

Coordinates	4317640.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[W(dppm)(CO)3(SO2CH2)]
Formula	C29 H24 O5 P2 S W
Calculated formula	C29 H24 O5 P2 S W
SMILES	[W]12([S](=O)(=O)C2)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
Title of publication	Molybdenum and Tungsten Complexes of Sulfene (Thioformaldehyde S,S-Dioxide)1
Authors of publication	Wolfdieter A. Schenk; Katja Nielsen; Nicolai I. Burzlaff; Michael Hagel
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	1079 - 1085
a	11.719 ± 0.002 Å
b	17.392 ± 0.004 Å
c	13.441 ± 0.003 Å
α	90°
β	95.58 ± 0.03°
γ	90°
Cell volume	2726.5 ± 1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0749
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
179256 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/76.	4317640.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317640.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317640.cif
13916	2011-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4317640 via cif-deposit CGI script.	4317640.cif