Information card for entry 4118073

Structure parameters

• Common name: [Me3NN]Ni-N(CHMePh)Ad.1/2ether
• Formula: C43 H58 N3 Ni O0.5
• Calculated formula: C43 H58 N3 Ni O0.5
• Title of publication: C-H Functionalization Reactivity of a Nickel-Imide
• Authors of publication: Stefan Wiese; Jason L. McAfee; Dale R. Pahls; Claire L. McMullin; Thomas R. Cundari; Timothy H. Warren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 10114 - 10121
• a: 16.67 ± 0.003 Å
• b: 24.497 ± 0.004 Å
• c: 9.2897 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3793.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No