Information card for entry 4317354

Structure parameters

• Formula: C46 H55 Au Mo O3 P2
• Calculated formula: C46 H55 Au Mo O3 P2
• SMILES: [Mo]123456([Au]([P](c7ccc(cc7)C)(c7ccc(cc7)C)c7ccc(cc7)C)(C1=O)C2=O)([P](=O)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]1[cH]6[cH]5[cH]4[cH]31
• Title of publication: Chemistry of the Oxophosphinidene Ligand. 2. Reactivity of the Anionic Complexes [MCp{P(O)R*}(CO)2]- (M = Mo, W; R* = 2,4,6-C6H2tBu3) Toward Electrophiles Based on Elements Different from Carbon.
• Authors of publication: María Alonso; M. Angeles Alvarez; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11595 - 11605
• a: 10.0166 ± 0.0001 Å
• b: 26.9633 ± 0.0004 Å
• c: 17.1911 ± 0.0004 Å
• α: 90°
• β: 110.987 ± 0.001°
• γ: 90°
• Cell volume: 4334.97 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No