Information card for entry 4074924

Structure parameters

• Formula: C56 H48 Br2 N2 O2 P2 Ru
• Calculated formula: C56 H48 Br2 N2 O2 P2 Ru
• SMILES: [Ru]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)Oc4c(Br)cccc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2c(O1)c(Br)ccc2
• Title of publication: Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands
• Authors of publication: Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1676
• a: 10.867 ± 0.002 Å
• b: 24.938 ± 0.005 Å
• c: 17.882 ± 0.004 Å
• α: 90°
• β: 91.81 ± 0.03°
• γ: 90°
• Cell volume: 4843.6 ± 1.7 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No