Information card for entry 7714492

Structure parameters

• Formula: C138 H136 N4 Ni2 P4
• Calculated formula: C138 H136 N4 Ni2 P4
• 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: 12.8416 ± 0.0015 Å
• b: 35.708 ± 0.004 Å
• c: 13.5064 ± 0.0015 Å
• α: 90°
• β: 115.652 ± 0.004°
• γ: 90°
• Cell volume: 5582.9 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1851
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No