Information card for entry 4128483

Structure parameters

• Formula: C37 H69 Cl N6 Ni Si2
• Calculated formula: C37 H69 Cl N6 Ni Si2
• SMILES: [NiH]([Si](Cl)(N([Si](C)(C)C)c1c(C(C)C)cccc1C(C)C)N)(=C1N(C(C)C)C(=C(N1C(C)C)C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C
• Title of publication: Versatile Tautomerization of EH₂-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.
• Authors of publication: Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 7
• Pages of publication: 3304 - 3314
• a: 10.3889 ± 0.0004 Å
• b: 12.1012 ± 0.0003 Å
• c: 18.1909 ± 0.0006 Å
• α: 101.198 ± 0.002°
• β: 101.994 ± 0.003°
• γ: 99.504 ± 0.003°
• Cell volume: 2143.51 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No