Information card for entry 4303402

Structure parameters

• Formula: C45 H59 Au F6 Mo2 O3 P4
• Calculated formula: C45 H59 Au F6 Mo2 O3 P4
• SMILES: [Mo]1234567([Mo]89%10%11([Au]1[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)([P]2(CC)CC)([P]3(CC)CC)(C#[O])[cH]1[cH]8[cH]9[cH]%10[cH]%111)(C#[O])[cH]1[cH]7[cH]6[cH]5[cH]41.[P](F)(F)(F)(F)(F)[F-].O1CCCC1
• Title of publication: Reactions of the Unsaturated Complex [Mo2(η5-C5H5)2(μ-PEt2)2(CO)2] with [Au(PR3)]+ Cations: Kinetic Preference of the Mo-P Bonds as the Site of Attack of the Gold(I) Electrophile
• Authors of publication: M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; M. Eugenia Martínez; Miguel A. Ruiz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9767 - 9778
• a: 15.1093 ± 0.0003 Å
• b: 17.9915 ± 0.0004 Å
• c: 17.4254 ± 0.0003 Å
• α: 90°
• β: 95.365 ± 0.001°
• γ: 90°
• Cell volume: 4716.15 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No