Information card for entry 4322797

Structure parameters

• Formula: C45 H33 N3 O5 P2 W
• Calculated formula: C45 H33 N3 O7 P2 W
• SMILES: [W](N1C=CC(=O)NC1=O)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Organometallic Derivatives of Orotic Acid. CO-Labilizing Ability of the Amido Group in Chromium and Tungsten Carbonyl Complexes
• Authors of publication: Donald J. Darensbourg; Jennifer D. Draper; David L. Larkins; Brian J. Frost; Joseph H. Reibenspies
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2538 - 2546
• a: 10.173 ± 0.002 Å
• b: 13.973 ± 0.003 Å
• c: 14.959 ± 0.003 Å
• α: 81.95 ± 0.03°
• β: 88.9 ± 0.03°
• γ: 78.67 ± 0.03°
• Cell volume: 2064.3 ± 0.8 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections: 0.2105
• Weighted residual factors for significantly intense reflections: 0.1864
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No