Information card for entry 4120944

Structure parameters

• Formula: C30 H52 K N2 Ni Si2
• Calculated formula: C30 H52 K N2 Ni Si2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Ni]N(c1c(cccc1C(C)C)C(C)C)[Si](C)(C)C.[K+]
• Title of publication: A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition
• Authors of publication: Michael I. Lipschutz; Xinzheng Yang; Ruchira Chatterjee; T. Don Tilley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 15298 - 15301
• a: 13.3749 ± 0.0009 Å
• b: 13.3774 ± 0.0009 Å
• c: 18.2349 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3262.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No