Information card for entry 4301583

Structure parameters

• Chemical name: Dicarbonylbis(1,2-dimethylethene-1,2-dithiolato- κ^2^S,S')tungsten
• Formula: C10 H12 O2 S4 W
• Calculated formula: C10 H12 O2 S4 W
• SMILES: [W]12(SC(=C(S1)C)C)(SC(=C(S2)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: 7.0364 ± 0.0003 Å
• b: 7.6373 ± 0.0003 Å
• c: 13.5606 ± 0.0006 Å
• α: 93.506 ± 0.001°
• β: 93.891 ± 0.001°
• γ: 95.516 ± 0.001°
• Cell volume: 722.01 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No