Information card for entry 4322800

Structure parameters

• Formula: C27 H45 N5 O8.5 W
• Calculated formula: C27 H45 N5 O8.5 W
• SMILES: [W]1(OC(=O)[C@H]2N1C(=O)NC(=O)C2)(C#[O])(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC.O
• 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: 13.488 ± 0.002 Å
• b: 13.7357 ± 0.0011 Å
• c: 35.913 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6653.5 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections: 0.2443
• Weighted residual factors for significantly intense reflections: 0.1207
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for significantly intense reflections: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No