Information card for entry 4084423

Structure parameters

• Common name: Compound8
• Formula: C27 H50 Ni O P
• Calculated formula: C27 H50 Ni O P
• SMILES: [C]12(=O)[C]3(=[CH]4[C]5(=[CH]6C1(C(C)(C)C)[Ni]23456[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)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: 9.7648 ± 0.0007 Å
• b: 16.4415 ± 0.0012 Å
• c: 16.7346 ± 0.0012 Å
• α: 90°
• β: 103.794 ± 0.003°
• γ: 90°
• Cell volume: 2609.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No