Information card for entry 4084422

Structure parameters

• Common name: Compound7
• Formula: C42 H59 N2 Ni O
• Calculated formula: C42 H59 N2 Ni O
• SMILES: c1(c(cc(cc1C(C)(C)C)C)C(C)(C)C)O[Ni]=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Useful Method for the Preparation of Low-Coordinate Nickel(I) Complexes via Transformations of the Ni(I) Bis(amido) Complex K{Ni[N(SiMe3)(2,6- (i) Pr2-C6H3)]2}
• Authors of publication: Lipschutz, Michael I.; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5566 - 5570
• a: 18.329 ± 0.005 Å
• b: 19.847 ± 0.005 Å
• c: 20.428 ± 0.005 Å
• α: 109.439 ± 0.005°
• β: 106.744 ± 0.005°
• γ: 96.811 ± 0.005°
• Cell volume: 6518 ± 3 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: 0.0924
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No