Information card for entry 4102026

Structure parameters

• Common name: HLSi(NHiPr)-Ni(CO)3 * C6H6
• Formula: C41 H55 N3 Ni O3 Si
• Calculated formula: C41 H55 N3 Ni O3 Si
• SMILES: [Ni]([Si]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)NC(C)C)(C#[O])(C#[O])C#[O].c1ccccc1
• 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: 39.9171 ± 0.0009 Å
• b: 10.9265 ± 0.0002 Å
• c: 18.2378 ± 0.0004 Å
• α: 90°
• β: 94.946 ± 0.002°
• γ: 90°
• Cell volume: 7924.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No