Information card for entry 4335146

Structure parameters

• Chemical name: 1,2-Dimethylethene-1,2-dithiolato-κ^2^S,S'dicarbonyl bis(methyldiphenylphosphine)tungsten
• Formula: C32 H32 O2 P2 S2 W
• Calculated formula: C32 H32 O2 P2 S2 W
• SMILES: [W]1(SC(=C(S1)C)C)([P](C)(c1ccccc1)c1ccccc1)([P](C)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes
• Authors of publication: Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6743 - 6751
• a: 14.6817 ± 0.0007 Å
• b: 11.286 ± 0.0005 Å
• c: 19.6091 ± 0.0009 Å
• α: 90°
• β: 107.8 ± 0.001°
• γ: 90°
• Cell volume: 3093.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0326
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No