Information card for entry 4063949

Structure parameters

• Formula: C92 H80 B Cl F24 N2 P4 Ru
• Calculated formula: C92 H80 B Cl F24 N2 P4 Ru
• SMILES: C(C(C)(C)C)[N]1=P(c2ccccc2)(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[RuH]1([P](c1ccccc1)(c1ccccc1)CP(c1ccccc1)(c1ccccc1)=[NH+]CC(C)(C)C)Cl.c1c(cc(cc1[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• Title of publication: Tridentate and Tetradentate Iminophosphorane-Based Ruthenium Complexes in Catalytic Transfer Hydrogenation of Ketones
• Authors of publication: Dyer, Hellen; Picot, Alexandre; Vendier, Laure; Auffrant, Audrey; Le Floch, Pascal; Sabo-Etienne, Sylviane
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1478
• a: 11.515 ± 0.002 Å
• b: 17.723 ± 0.004 Å
• c: 22.221 ± 0.005 Å
• α: 90.634 ± 0.015°
• β: 99.27 ± 0.016°
• γ: 102.486 ± 0.014°
• Cell volume: 4364.8 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No