Information card for entry 4073127

Structure parameters

• Formula: C34 H14 Cl4 F20 P2 Ru2
• Calculated formula: C34 H14 Cl4 F20 P2 Ru2
• SMILES: [Ru]123(Cl)([Cl][Ru]45678([Cl]1)([Cl]2)[c]1([cH]4[c]5([cH]6[c]7([cH]81)C)C)C)[P](C[P]3(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• 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: 10.41 ± 0.004 Å
• b: 11.037 ± 0.005 Å
• c: 18.457 ± 0.007 Å
• α: 104.793 ± 0.006°
• β: 92.372 ± 0.006°
• γ: 104.433 ± 0.006°
• Cell volume: 1973.1 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1857
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2547
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No