Information card for entry 4074925

Structure parameters

• Formula: C27.5 H29 Br2 Cl5 N4 O3 Ru
• Calculated formula: C27.5 H29 Br2 Cl5 N4 O3 Ru
• SMILES: [Ru]123(Oc4c(Br)cccc4C=[N]2[C@H]2[C@H]([N]3=Cc3c(O1)c(Br)ccc3)CCCC2)([n]1cn(cc1)C)C#[O].C(Cl)Cl.C(Cl)Cl.ClCCl
• 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: 8.447 ± 0.0017 Å
• b: 16.42 ± 0.003 Å
• c: 27.958 ± 0.006 Å
• α: 90°
• β: 93.96 ± 0.03°
• γ: 90°
• Cell volume: 3868.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.089
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No