Information card for entry 4514420

Structure parameters

• Formula: C59 H60 Cl2 N2 P2 Ru
• Calculated formula: C59 H60 Cl2 N2 P2 Ru
• SMILES: [Ru]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[NH2][C@H](C(C)C)c2[n]1cccc2.c1cc(C)ccc1.Cc1ccccc1
• Title of publication: Chirality-Economy Catalysis: Asymmetric Transfer Hydrogenation of Ketones by Ru-Catalysts of Minimal Stereogenicity
• Authors of publication: Chen, Fumin; He, Dongxu; Chen, Li; Chang, Xiaoyong; Wang, David Zhigang; Xu, Chen; Xing, Xiangyou
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 5562
• a: 10.9656 ± 0.0006 Å
• b: 11.9509 ± 0.0006 Å
• c: 38.4007 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5032.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• 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: 0.0253
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No