Information card for entry 4034739

Structure parameters

• Formula: C84 H164 Cu4 I4 N12 Ni4 O P8
• Calculated formula: C84 H164 Cu4 I4 N12 Ni4 P8
• Title of publication: A Pseudodearomatized PN³P*Ni-H Complex as a Ligand and σ-Nucleophilic Catalyst.
• Authors of publication: Li, Huaifeng; Gonçalves, Théo P; Hu, Jinsong; Zhao, Qianyi; Gong, Dirong; Lai, Zhiping; Wang, Zhixiang; Zheng, Junrong; Huang, Kuo-Wei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 24
• Pages of publication: 14969 - 14977
• a: 12.3898 ± 0.0003 Å
• b: 8.3356 ± 0.0002 Å
• c: 29.3057 ± 0.0006 Å
• α: 90°
• β: 114.3 ± 0.001°
• γ: 90°
• Cell volume: 2758.44 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No