Information card for entry 4107023

Structure parameters

• Formula: C62 H101.5 B N P3 Ru
• Calculated formula: C62 H101.5 B N P3 Ru
• Title of publication: Ruthenium Agostic (Phosphinoaryl)borane Complexes: Multinuclear Solid-State and Solution NMR, X-ray, and DFT Studies
• Authors of publication: Yann Gloaguen; Gilles Alcaraz; Alban Petit; Eric Clot; Yannick Coppel; Laure Vendier; Sylviane Sabo-Etienne
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 17232 - 17238
• a: 12.0884 ± 0.0006 Å
• b: 12.5779 ± 0.0006 Å
• c: 20.5574 ± 0.0009 Å
• α: 99.33 ± 0.002°
• β: 96.38 ± 0.002°
• γ: 108.261 ± 0.002°
• Cell volume: 2884.9 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No