Information card for entry 4131458

Structure parameters

• Formula: C23 H44 N4 Ni Si
• Calculated formula: C23 H44 N4 Ni Si
• SMILES: [Ni]1([CH](=[CH2]1)[Si](C)(C)C)(=C1N(C=CN1C(C)C)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: 9.3283 ± 0.0007 Å
• b: 17.1662 ± 0.0013 Å
• c: 18.2968 ± 0.0014 Å
• α: 72.69 ± 0.002°
• β: 88.651 ± 0.002°
• γ: 80.555 ± 0.002°
• Cell volume: 2758.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No