Information card for entry 4322379

Structure parameters

• 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 and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se)
• Authors of publication: Christine A. Goddard; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5389 - 5398
• a: 7.0858 ± 0.0005 Å
• b: 7.7923 ± 0.0006 Å
• c: 13.5874 ± 0.001 Å
• α: 93.665 ± 0.001°
• β: 94.437 ± 0.001°
• γ: 95.724 ± 0.001°
• Cell volume: 742.3 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0293
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.0589
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No