Information card for entry 4303404

Structure parameters

• Formula: C48 H56 Au F6 Mo2 O4 P3
• Calculated formula: C48 H56 Au F6 Mo2 O4 P3
• SMILES: [Mo]123456([Mo]789%10%11%12([Au]1([P]7(C1CCCCC1)C1CCCCC1)([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(C)cc1)C28OC)(C#[O])[cH]1[cH]9[cH]%10[cH]%11[cH]%121)(C#[O])(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31.[P](F)(F)(F)(F)(F)[F-]
• 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: 12.874 ± 0.003 Å
• b: 14.631 ± 0.003 Å
• c: 14.81 ± 0.003 Å
• α: 74.271 ± 0.003°
• β: 83.993 ± 0.003°
• γ: 70.763 ± 0.004°
• Cell volume: 2534.9 ± 0.9 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0335
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No