Information card for entry 7053618

Structure parameters

• Formula: C58 H57 Cl6 N2 P4 Rh
• Calculated formula: C52 H48 Cl3 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.[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: 19.416 ± 0.001 Å
• b: 24.922 ± 0.001 Å
• c: 10.803 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5227.4 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No