Information card for entry 1566617

Structure parameters

• Formula: C73 H85 N5 Ni2 Si4
• Calculated formula: C74.875 H80.5 N5 Ni2 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: 14.392 ± 0.012 Å
• b: 22.272 ± 0.019 Å
• c: 22.51 ± 0.019 Å
• α: 97.75 ± 0.007°
• β: 95.438 ± 0.007°
• γ: 102.855 ± 0.007°
• Cell volume: 6912 ± 10 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1753
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2009
• Weighted residual factors for all reflections included in the refinement: 0.2544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.415 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No