Information card for entry 7122200

Structure parameters

• Common name: GDR-NiH(t-Bu)2
• Formula: C21 H41 N3 Ni P2
• Calculated formula: C21 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: 11.1132 ± 0.0004 Å
• b: 15.6569 ± 0.0006 Å
• c: 28.295 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4923.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No