Information card for entry 4102024

Structure parameters

• Common name: LSi(SH)-Ni(CO)3
• Formula: C32 H42 N2 Ni O3 S Si
• Calculated formula: C32 H42 N2 Ni O3 S Si
• SMILES: [Ni]([Si]1(S)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])C#[O]
• 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: 9.8033 ± 0.0002 Å
• b: 19.9945 ± 0.0004 Å
• c: 16.6768 ± 0.0003 Å
• α: 90°
• β: 100.85 ± 0.002°
• γ: 90°
• Cell volume: 3210.42 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No