Information card for entry 4086964

Structure parameters

• Formula: C39 H51 N3 Ni
• Calculated formula: C39 H51 N3 Ni
• SMILES: [Ni]1234([n]5c(cccc5/C=N/c5c(cccc5C(C)C)C(C)C)C=[N]1c1c(cccc1C(C)C)C(C)C)[CH]1CC[CH]2=[CH]3CC[CH]4=1
• Title of publication: Coordination Chemistry and Reactivity of Bis(aldimino)pyridine Nickel Complexes in Four Different Oxidation States
• Authors of publication: Reed, Blake R.; Yousif, Maryam; Lord, Richard L.; McKinnon, Meaghan; Rochford, Jonathan; Groysman, Stanislav
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 582
• a: 8.7274 ± 0.0011 Å
• b: 13.7311 ± 0.0016 Å
• c: 15.2359 ± 0.0017 Å
• α: 71.069 ± 0.005°
• β: 79.57 ± 0.006°
• γ: 72.234 ± 0.006°
• Cell volume: 1637.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No