Information card for entry 4074928

Structure parameters

• Formula: C42 H41 Br4 N3 O3 Ru
• Calculated formula: C42 H41 Br4 N3 O3 Ru
• 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: 37.444 ± 0.008 Å
• b: 13.021 ± 0.003 Å
• c: 19.997 ± 0.004 Å
• α: 90°
• β: 121.11 ± 0.03°
• γ: 90°
• Cell volume: 8347 ± 4 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.689
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No