Information card for entry 4102025

Structure parameters

• Common name: HLSi(NH2)-Ni(CO)3
• Formula: C32 H43 N3 Ni O3 Si
• Calculated formula: C32 H43 N3 Ni O3 Si
• SMILES: CC1=CC(C)=[N]([Si](N1c1c(cccc1C(C)C)C(C)C)(N)[Ni](C#[O])(C#[O])C#[O])c1c(cccc1C(C)C)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: 8.822 ± 0.0003 Å
• b: 20.0098 ± 0.0004 Å
• c: 9.7785 ± 0.0003 Å
• α: 90°
• β: 111.974 ± 0.003°
• γ: 90°
• Cell volume: 1600.76 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No