Information card for entry 7714493

Structure parameters

• Formula: C39 H38 N2 Ni P2
• Calculated formula: C39 H38 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: 13.178 ± 0.002 Å
• b: 16.184 ± 0.002 Å
• c: 17.888 ± 0.003 Å
• α: 68.459 ± 0.006°
• β: 78.918 ± 0.007°
• γ: 70.131 ± 0.006°
• Cell volume: 3327.4 ± 0.9 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: 0.0629
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No