Information card for entry 4322297

Structure parameters

• Formula: C82 H64 N2 O4 P4 S2 W
• Calculated formula: C82 H64 N2 O4 P4 S2 W
• SMILES: [W]1(Sc2c(S1)cccc2)(C#[O])(C#[O])(C#[O])C#[O].P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Structural and Spectroscopic Studies of 16-Electron, Unsaturated Derivatives of Low-Valent, Group 6 Carbonyl Complexes Containing π-Donor Ligands
• Authors of publication: Donald J. Darensbourg; Jennifer D. Draper; Brian J. Frost; Joseph H. Reibenspies
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4705 - 4714
• a: 12.6497 ± 0.001 Å
• b: 14.8095 ± 0.0013 Å
• c: 21.053 ± 0.002 Å
• α: 77.182 ± 0.007°
• β: 78.334 ± 0.007°
• γ: 66.579 ± 0.007°
• Cell volume: 3500.1 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.0819
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No