Information card for entry 7053617

Structure parameters

• Formula: C55 H51 B Cl11 F4 N2 P4 Rh
• Calculated formula: C55 H51 B Cl11 F4 N2 P4 Rh
• SMILES: [Rh]123(Cl)(Cl)[P](CP(=[N]2CC[N]3=P(c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Iminophosphorane-based [P2N2] rhodium complexes: synthesis, reactivity, and application in catalysed transfer hydrogenation of polar bonds
• Authors of publication: Buchard, Antoine; Payet, Elina; Auffrant, Audrey; Goff, Xavier Le; Floch, Pascal Le
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2943
• a: 10.806 ± 0.001 Å
• b: 35.589 ± 0.001 Å
• c: 16.434 ± 0.001 Å
• α: 90°
• β: 100.108 ± 0.001°
• γ: 90°
• Cell volume: 6222 ± 0.7 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No