Information card for entry 4067853

Structure parameters

• Formula: C30 H41 B2 Cl2 F4 P2 Rh
• Calculated formula: C30 H41 B2 Cl2 F4 P2 Rh
• SMILES: [Rh]12345([P]6(C(=C(C(=C6C)C)C)C)C[P]([BH]([H]1)[H]5)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.C(Cl)Cl.[B](F)(F)(F)[F-]
• Title of publication: Modular Phosphole-Methano-Bridged-Phosphine(Borane) Ligands. Application to Rhodium-Catalyzed Reactions
• Authors of publication: Nguyen, Duc Hanh; Bayardon, Jérôme; Salomon-Bertrand, Christine; Jugé, Sylvain; Kalck, Philippe; Daran, Jean-Claude; Urrutigoity, Martine; Gouygou, Maryse
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 857
• a: 10.7297 ± 0.0007 Å
• b: 10.9416 ± 0.0007 Å
• c: 14.2511 ± 0.0009 Å
• α: 95.701 ± 0.005°
• β: 93.508 ± 0.005°
• γ: 95.731 ± 0.005°
• Cell volume: 1652.21 ± 0.19 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No