Information card for entry 4301585

Structure parameters

• Chemical name: But-2-ene-2,3-dithiolatodicarbonylbis(trimethyl phosphine)tungsten(II)
• Formula: C12 H24 O2 P2 S2 W
• Calculated formula: C12 H24 O2 P2 S2 W
• SMILES: [W]1(SC(=C(S1)C)C)([P](C)(C)C)([P](C)(C)C)(C#[O])C#[O]
• Title of publication: Synthesis, Structures, and Properties of Mixed Dithiolene-Carbonyl and Dithiolene-Phosphine Complexes of Tungsten
• Authors of publication: P. Chandrasekaran; Kuppuswamy Arumugam; Upul Jayarathne; Lisa M. Pérez; Joel T. Mague; James P. Donahue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2103 - 2113
• a: 13.633 ± 0.004 Å
• b: 10.553 ± 0.003 Å
• c: 13.062 ± 0.004 Å
• α: 90°
• β: 105.522 ± 0.004°
• γ: 90°
• Cell volume: 1810.7 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0153
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No