Information card for entry 1566616

Structure parameters

• Formula: C83 H103 N7 Ni5 Si4
• Calculated formula: C83 H85 N7 Ni5 Si4
• Title of publication: Metalation-Induced Denitrogenative Reductive Coupling of Isocyanides on a Silylene-Bridged Nickel Cluster
• Authors of publication: Shimamoto, Kento; Sunada, Yusuke
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 13.9645 ± 0.0004 Å
• b: 14.7686 ± 0.0003 Å
• c: 24.4091 ± 0.0005 Å
• α: 89.5959 ± 0.0019°
• β: 79.412 ± 0.002°
• γ: 63.052 ± 0.003°
• Cell volume: 4394.3 ± 0.2 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No