Information card for entry 7122202

Structure parameters

• Formula: C22 H43 N3 Ni P2
• Calculated formula: C22 H43 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: 21.7707 ± 0.0014 Å
• b: 8.2148 ± 0.0005 Å
• c: 14.0657 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2515.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No