Information card for entry 4125874

Structure parameters

• Common name: z1056
• Formula: C60 H58 F12 N6 P4 Ru
• Calculated formula: C60 H58 F12 N6 P4 Ru
• Title of publication: Octahedral Ruthenium Complex with Exclusive Metal-Centered Chirality for Highly Effective Asymmetric Catalysis.
• Authors of publication: Zheng, Yu; Tan, Yuqi; Harms, Klaus; Marsch, Michael; Riedel, Radostan; Zhang, Lilu; Meggers, Eric
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 12
• Pages of publication: 4322 - 4325
• a: 14.276 ± 0.0006 Å
• b: 15.7178 ± 0.0007 Å
• c: 14.3256 ± 0.0006 Å
• α: 90°
• β: 103.244 ± 0.002°
• γ: 90°
• Cell volume: 3129 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No