Information card for entry 7714494

Structure parameters

• Formula: C84 H84 N4 Ni2 O P4
• Calculated formula: C84 H84 N4 Ni2 O 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: 24.594 ± 0.005 Å
• b: 9.933 ± 0.002 Å
• c: 28.552 ± 0.009 Å
• α: 90°
• β: 94.19 ± 0.006°
• γ: 90°
• Cell volume: 6956 ± 3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No