Information card for entry 4335142

Structure parameters

• Chemical name: Bis(but-2-ene-2,3-dithiolato-κ^2^S,S')bis(phenyldi- methylphosphine)tungsten(IV)
• Formula: C24 H34 P2 S4 W
• Calculated formula: C24 H34 P2 S4 W
• SMILES: [W]12(SC(=C(S1)C)C)(SC(=C(S2)C)C)([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1
• 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: 19.413 ± 0.004 Å
• b: 9.04 ± 0.0017 Å
• c: 15.947 ± 0.003 Å
• α: 90°
• β: 104.24 ± 0.002°
• γ: 90°
• Cell volume: 2712.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No