Information card for entry 4073125

Structure parameters

• Formula: C35 H17 B Cl F24 P2 Rh
• Calculated formula: C35 H17 B Cl F24 P2 Rh
• SMILES: [Rh]12345(Cl)([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[P](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)C[P]5(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[B](F)(F)(F)[F-]
• 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: 17.933 ± 0.003 Å
• b: 9.7034 ± 0.0016 Å
• c: 21.676 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3771.9 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No