Information card for entry 4120943

Structure parameters

• Formula: C46 H88 N3 Ni Si2
• Calculated formula: C46 H88 N3 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.C(CCC)[N+](CCCC)(CCCC)CCCC
• 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: 10.7683 ± 0.0006 Å
• b: 19.845 ± 0.0012 Å
• c: 22.5472 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4818.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No