Crystallography Open Database

Information card for entry 4308857

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Coordinates	4308857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H17 O4 P S2 W
Calculated formula	C22 H17 O4 P S2 W
SMILES	[W]1(C#[O])(C#[O])(C#[O])(C#[O])[P](c2ccccc2)(c2ccccc2)C=C2[S]1C(=C(S2)C)C
Title of publication	Redox-Active Dithiafulvenyldiphenylphosphine as a Mono- or Bidentate Ligand: Intramolecular Coupling Reaction in the Coordination Sphere of a Metal Carbonyl Fragment
Authors of publication	Michel Guerro; Thierry Roisnel; Pascal Pellon; Dominique Lorcy
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3347 - 3355
a	11.353 ± 0.005 Å
b	10.863 ± 0.005 Å
c	18.796 ± 0.005 Å
α	90 ± 0.005°
β	100.271 ± 0.005°
γ	90 ± 0.005°
Cell volume	2280.9 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0759
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.0573
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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