Information card for entry 4072858

Structure parameters

• Formula: C30 H44 B Mo2 O2 P
• Calculated formula: C30 H44 B Mo2 O2 P
• SMILES: [Mo]123456789([PH]%10[Mo]%11%12%13%14(C#[O])([cH]%15[cH]%12[cH]%11[cH]%14[cH]%13%15)(C#[O])[H][BH2]%10)([c]%10([cH]5[c]1([cH]3[c]4([cH]2%10)C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]1[cH]7[cH]9[cH]8[cH]61
• Title of publication: Formation of P–H, P–C, and C–H Bonds by Hydride Attack on a Electrophilic Phosphide-Bridged Dimolybdenum Complex. Trapping the Phosphinidene Ligand with Borane
• Authors of publication: Amor, Inmaculada; García-Vivó, Daniel; García, M. Esther; Ruiz, Miguel A.; Sáez, David; Hamidov, Hayrullo; Jeffery, John C.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 466 - 468
• a: 11.3514 ± 0.0005 Å
• b: 17.7124 ± 0.0008 Å
• c: 29.7652 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5984.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No