Information card for entry 4071844

Structure parameters

• Formula: C37 H39 Cl2 F6 N2 P Ru2
• Calculated formula: C37 H39 Cl2 F6 N2 P Ru2
• SMILES: c12c(c3c(cc1)cccc3)[C@@H](C)[NH2][Ru]134562([cH]2[cH]1[cH]3[cH]4[cH]5[cH]62)[H][Ru]123456(c7c(c8c(cc7)cccc8)[C@@H](C)[NH2]6)[cH]6[cH]1[cH]2[cH]3[cH]4[cH]56.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Kinetics and Mechanism of Ruthenacycle-Catalyzed Asymmetric Hydrogen Transfer
• Authors of publication: Pannetier, Nicolas; Sortais, Jean-Baptiste; Dieng, Pape Sylla; Barloy, Laurent; Sirlin, Claude; Pfeffer, Michel
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5852
• a: 9.072 ± 0.0002 Å
• b: 12.085 ± 0.0003 Å
• c: 32.693 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3584.3 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No