Information card for entry 4131456

Structure parameters

• Formula: C37 H60 N2 Ni Si2
• Calculated formula: C37 H60 N2 Ni Si2
• SMILES: [Ni]12([CH](=[CH2]1)[Si](C)(C)C)([CH](=[CH2]2)[Si](C)(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(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: 18.4342 ± 0.001 Å
• b: 19.3195 ± 0.0012 Å
• c: 21.7657 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7751.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No