Information card for entry 4323489

Structure parameters

• Formula: C46 H44 Au2 B F4 Mo O2 P3
• Calculated formula: C46 H44 Au2 B F4 Mo O2 P3
• SMILES: [Mo]1234567([Au]([Au]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)C7=O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C6=O)([P](C)(C)C)[cH]1[cH]2[cH]3[cH]4[cH]51.[B](F)(F)(F)[F-]
• Title of publication: H+/AuPPh3+ Exchange for the Hydride Complexes CpMoH(CO)2(L) (L = PMe3, PPh3, CO). Formation and Structure of [Cp(CO)2(PMe3)Mo(AuPPh3)2]+[BF4]-
• Authors of publication: Rossana Galassi; Rinaldo Poli; E. Alessandra Quadrelli; James C. Fettinger
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 3001 - 3007
• a: 18.1457 ± 0.0013 Å
• b: 9.7811 ± 0.0007 Å
• c: 26.096 ± 0.002 Å
• α: 90°
• β: 105.086 ± 0.005°
• γ: 90°
• Cell volume: 4472 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• 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: 0.065
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.1364
• Weighted residual factors for significantly intense reflections: 0.1293
• Goodness-of-fit parameter for all reflections: 1.124
• Goodness-of-fit parameter for significantly intense reflections: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No