Information card for entry 4128484

Structure parameters

• Formula: C37 H69 Cl N5 Ni P Si2
• Calculated formula: C37 H69 Cl N5 Ni P Si2
• SMILES: [Ni](Cl)(P[SiH2]N([Si](C)(C)C)c1c(C(C)C)cccc1C(C)C)(=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: 30.1187 ± 0.0003 Å
• b: 9.9367 ± 0.0001 Å
• c: 30.372 ± 0.0003 Å
• α: 90°
• β: 100.471 ± 0.001°
• γ: 90°
• Cell volume: 8938.38 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No