Information card for entry 7714491

Structure parameters

• Formula: C53 H44 N2 Ni P2
• Calculated formula: C53 H44 N2 Ni P2
• Title of publication: Dipyrromethane-Diphosphine: The effect of meso substituents on the formation of nickel complexes and on their performance in the transfer hydrogenation of ketones
• Authors of publication: Mani, Ganesan; Gupta, Rohit; Kumar, Ashok
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.2996 ± 0.0013 Å
• b: 13.4141 ± 0.0014 Å
• c: 14.7999 ± 0.0017 Å
• α: 107.311 ± 0.007°
• β: 108.334 ± 0.007°
• γ: 99.319 ± 0.007°
• Cell volume: 2123.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1616
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No