Information card for entry 4322295

Structure parameters

• Formula: C10 H8 O4 P2 W
• Calculated formula: C10 H8 O4 P2 W
• SMILES: [W]1([PH2]c2c([PH2]1)cccc2)(C#[O])(C#[O])(C#[O])C#[O]
• 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: 11.5823 ± 0.0011 Å
• b: 10.7906 ± 0.0012 Å
• c: 10.4487 ± 0.001 Å
• α: 90°
• β: 100.867 ± 0.007°
• γ: 90°
• Cell volume: 1282.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections: 0.1141
• Weighted residual factors for significantly intense reflections: 0.1064
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No