Information card for entry 4121297

Structure parameters

• Formula: C38 H80 N4 Ni Si4
• Calculated formula: C38 H80 N4 Ni Si4
• SMILES: [Ni]1([Si@@H]([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si@@H]1[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(=C1N(C)C(C)=C(N1C)C)=C1N(C(=C(N1C)C)C)C.[Ni]1([Si@H]([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si@H]1[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(=C1N(C)C(C)=C(N1C)C)=C1N(C(=C(N1C)C)C)C
• Title of publication: A Dihydrodisilene Transition Metal Complex from an N-Heterocyclic Carbene-Stabilized Silylene Monohydride
• Authors of publication: Shigeyoshi Inoue; Carsten Eisenhut
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 18315 - 18318
• a: 12.5259 ± 0.0003 Å
• b: 23.4672 ± 0.0007 Å
• c: 31.3977 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9229.3 ± 0.4 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: 0.0396
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No