Information card for entry 1566614

Structure parameters

• Formula: C66 H72 N4 Ni Si4
• Calculated formula: C66 H72 N4 Ni Si4
• SMILES: [Ni]1([Si]([Si]([Si]([Si]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(=C1N(C(=C(N1C)CC)CC)C)=C1N(C(=C(N1C)CC)CC)C
• 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: 11.7807 ± 0.0004 Å
• b: 11.8079 ± 0.0003 Å
• c: 22.9033 ± 0.0007 Å
• α: 80.502 ± 0.002°
• β: 78.053 ± 0.003°
• γ: 71.215 ± 0.003°
• Cell volume: 2934.25 ± 0.16 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: 0.0824
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No