Information card for entry 4301582

Structure parameters

• Formula: C8 H6 O4 S2 W
• Calculated formula: C8 H6 O4 S2 W
• SMILES: [W]1(SC(=C(S1)C)C)(C#[O])(C#[O])(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: 6.8778 ± 0.0013 Å
• b: 7.6003 ± 0.0014 Å
• c: 12.318 ± 0.002 Å
• α: 94.916 ± 0.002°
• β: 97.976 ± 0.002°
• γ: 114.88 ± 0.002°
• Cell volume: 571.01 ± 0.18 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: 0.0363
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No