Information card for entry 7122201

Structure parameters

• Formula: C25 H41 N3 Ni P2
• Calculated formula: C25 H41 N3 Ni P2
• Title of publication: Diverse catalytic reactivity of a dearomatized PN³P*-nickel hydride pincer complex towards CO₂ reduction.
• Authors of publication: Li, Huaifeng; Gonçalves, Théo P; Zhao, Qianyi; Gong, Dirong; Lai, Zhiping; Wang, Zhixiang; Zheng, Junrong; Huang, Kuo-Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 81
• Pages of publication: 11395 - 11398
• a: 20.386 ± 0.004 Å
• b: 20.386 ± 0.004 Å
• c: 24.639 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10240 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No