Information card for entry 4073123

Structure parameters

• Formula: C35 H16 B Cl3 F24 P2 Ru
• Calculated formula: C35 H16 B Cl3 F24 P2 Ru
• SMILES: [Ru]123456(Cl)([cH]7[c]1([cH]2[c]3([cH]4[c]57C)C)C)[P](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)C[P]6(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.C(Cl)Cl.[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: 15.047 ± 0.002 Å
• b: 12.572 ± 0.002 Å
• c: 21.976 ± 0.004 Å
• α: 90°
• β: 109.372 ± 0.003°
• γ: 90°
• Cell volume: 3921.9 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.147
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No