Information card for entry 4128489

Structure parameters

• Formula: C63 H116 N8 Ni2 P2 Si4
• Calculated formula: C63 H116 N8 Ni2 P2 Si4
• SMILES: [Ni]1(P2[Ni]([P]12[SiH2]N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)(=C1N(C(C)=C(N1C(C)C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C)([SiH2]N([Si](C)(C)C)c1c(C(C)C)cccc1C(C)C)=C1N(C(C)C)C(=C(N1C(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: 13.2496 ± 0.0012 Å
• b: 15.6628 ± 0.0013 Å
• c: 19.872 ± 0.002 Å
• α: 81.759 ± 0.008°
• β: 74.827 ± 0.009°
• γ: 66.298 ± 0.009°
• Cell volume: 3641.1 ± 0.6 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: 0.0796
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No