Information card for entry 4131457

Structure parameters

• Formula: C19 H40 N2 Ni Si2
• Calculated formula: C19 H40 N2 Ni Si2
• SMILES: [Ni]12([CH]([Si](C)(C)C)=[CH2]1)([CH2]=[CH]2[Si](C)(C)C)=C1N(C=CN1C(C)C)C(C)C
• Title of publication: Nickel-Catalyzed C-H Silylation of Arenes with Vinylsilanes: Rapid and Reversible β-Si Elimination.
• Authors of publication: Elsby, Matthew R.; Johnson, Samuel A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 27
• Pages of publication: 9401 - 9407
• a: 11.9002 ± 0.0017 Å
• b: 11.0146 ± 0.0015 Å
• c: 18.542 ± 0.002 Å
• α: 90°
• β: 97.281 ± 0.003°
• γ: 90°
• Cell volume: 2410.8 ± 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: 0.0986
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No