Information card for entry 7704419

Structure parameters

• Formula: C58 H50 B2 F8 Fe N4 P2
• Calculated formula: C58 H50 B2 F8 Fe N4 P2
• Title of publication: An iron variant of the Noyori hydrogenation catalyst for the asymmetric transfer hydrogenation of ketones.
• Authors of publication: Huo, Shangfei; Wang, Qingwei; Zuo, Weiwei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 23
• Pages of publication: 7959 - 7967
• a: 36.052 ± 0.007 Å
• b: 10.495 ± 0.002 Å
• c: 35.315 ± 0.006 Å
• α: 90°
• β: 113.603 ± 0.01°
• γ: 90°
• Cell volume: 12244 ± 4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• 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: 0.1906
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2778
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No