Information card for entry 4073122

Structure parameters

• Formula: C35 H16 Cl2 F19 P2 Rh
• Calculated formula: C35 H16 Cl2 F19 P2 Rh
• SMILES: [Rh]12345(Cl)(Cl)[c]6([c]1([c]2([c]3([c]46Cc1c([P]5(c2c(F)c(F)c(F)c(F)c2F)CP(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(c(c(c1F)F)F)F)C)C)C)C
• Title of publication: Synthesis of Piano Stool Complexes Employing the Pentafluorophenyl-Substituted Diphosphine (C6F5)2PCH2P(C6F5)2and the Effect of Phosphine Modifiers on Hydrogen Transfer Catalysis
• Authors of publication: Marr, Andrew C.; Nieuwenhuyzen, Mark; Pollock, Ciara L.; Saunders, Graham C.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2659
• a: 14.6421 ± 0.0013 Å
• b: 12.4541 ± 0.0011 Å
• c: 19.7153 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3595.2 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No