Information card for entry 4120945

Structure parameters

• Formula: C31 H55 N2 Ni Si2
• Calculated formula: C31 H55 N2 Ni Si2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Ni](C)N(c1c(cccc1C(C)C)C(C)C)[Si](C)(C)C
• 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: 11.8649 ± 0.0013 Å
• b: 17.206 ± 0.002 Å
• c: 17.3304 ± 0.0019 Å
• α: 82.23 ± 0.005°
• β: 71.21 ± 0.005°
• γ: 88.85 ± 0.005°
• Cell volume: 3317.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No