Information card for entry 4070249

Structure parameters

• Formula: C57 H55 B2 P2 Rh
• Calculated formula: C57 H55 B2 P2 Rh
• SMILES: [Rh]12345([P]6(C[P]([BH]([H]2)[H]1)(c1ccccc1)c1ccccc1)c1c(c2c6cccc2)cccc1)[CH]1CC[CH]4=[CH]5CC[CH]3=1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: First Dibenzophospholyl(diphenylphosphino)methane−Borane Hybrid P−(η2-BH3) Ligand: Synthesis and Rhodium(I) Complex
• Authors of publication: Nguyen, Duc Hanh; Lauréano, Hugo; Jugé, Sylvain; Kalck, Philippe; Daran, Jean-Claude; Coppel, Yannick; Urrutigoity, Martine; Gouygou, Maryse
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6288
• a: 11.9261 ± 0.0005 Å
• b: 14.1919 ± 0.0007 Å
• c: 14.6192 ± 0.0006 Å
• α: 87.739 ± 0.003°
• β: 84.475 ± 0.003°
• γ: 69.165 ± 0.003°
• Cell volume: 2301.78 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No