Information card for entry 4322294

Structure parameters

• Formula: C85 H70 N4 O4 P4 S W
• Calculated formula: C85 H70 N4 O4 P4 S W
• SMILES: [W]1(Sc2ccccc2O1)(C#[O])(C#[O])C#[O].P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#CC
• 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: 12.236 ± 0.002 Å
• b: 14.419 ± 0.002 Å
• c: 22.748 ± 0.004 Å
• α: 76.441 ± 0.013°
• β: 75.981 ± 0.015°
• γ: 70.978 ± 0.012°
• Cell volume: 3628 ± 1.1 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: 0.1336
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections: 0.1672
• Weighted residual factors for significantly intense reflections: 0.1357
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No