Information card for entry 4102021

Structure parameters

• Common name: C38 H52 N2 Si Ni
• Formula: C38 H52 N2 Ni Si
• Calculated formula: C38 H52 N2 Ni Si
• SMILES: [Ni]12345([Si]6N(C(=CC(N6c6c(cccc6C(C)C)C(C)C)=C)C)c6c(cccc6C(C)C)C(C)C)[c]6([cH]1[c]2([cH]3[c]4([cH]56)C)C)C
• Title of publication: Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)\ρightarrowNi(CO)3Complex
• Authors of publication: Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 3038 - 3046
• a: 13.8174 ± 0.0011 Å
• b: 15.2926 ± 0.0012 Å
• c: 16.7367 ± 0.0013 Å
• α: 90°
• β: 91.214 ± 0.006°
• γ: 90°
• Cell volume: 3535.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1336
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.683
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No