Information card for entry 4063948

Structure parameters

• Formula: C52 H48 Cl N2 P4 Ru
• Calculated formula: C52 H48 Cl N2 P4 Ru
• SMILES: C1[P](c2ccccc2)(c2ccccc2)[Ru]23([N](CC[N]2=P(C[P]3(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)=P1(c1ccccc1)c1ccccc1)Cl
• 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: 14.3828 ± 0.0004 Å
• b: 14.3828 ± 0.0004 Å
• c: 41.675 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7466.1 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No