Information card for entry 4322380

Structure parameters

• Formula: C30 H20 O2 S4 W
• Calculated formula: C30 H20 O2 S4 W
• SMILES: [W]12(SC(c3ccccc3)=C(S1)c1ccccc1)(SC(c1ccccc1)=C(S2)c1ccccc1)(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: 13.3608 ± 0.0007 Å
• b: 11.4546 ± 0.0006 Å
• c: 18.6255 ± 0.001 Å
• α: 90°
• β: 101.73°
• γ: 90°
• Cell volume: 2791 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for all reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.0642
• Goodness-of-fit parameter for all reflections: 1.073
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No