Information card for entry 4104092

Structure parameters

• Formula: C30 H36 N2 O4 Ru
• Calculated formula: C30 H36 N2 O4 Ru
• SMILES: [Ru]123(Oc4c(cccc4C=[N]2[C@H]2[C@H]([N]3=Cc3c(O1)c(ccc3)C(C)(C)C)CCCC2)C(C)(C)C)(C#[O])C#[O]
• Title of publication: cis-β-Bis(carbonyl) Ruthenium-Salen Complexes: X-ray Crystal Structures and Remarkable Catalytic Properties toward Asymmetric Intramolecular Alkene Cyclopropanation
• Authors of publication: Zhen-Jiang Xu; Ran Fang; Cunyuan Zhao; Jie-Sheng Huang; Gong-Yong Li; Nianyong Zhu; Chi-Ming Che
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 4405 - 4417
• a: 11.893 ± 0.002 Å
• b: 12.535 ± 0.003 Å
• c: 19.076 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2843.8 ± 1 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• 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: 0.0268
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No