Information card for entry 4086960

Structure parameters

• Formula: C66 H88 N6 Ni O
• Calculated formula: C66 H88 N6 Ni O
• SMILES: CC(C)c1cccc(c1/N=C/c1[n]2[Ni]3([n]4c(cccc4C=[N]3c3c(C(C)C)cccc3C(C)C)/C=N/c3c(C(C)C)cccc3C(C)C)[N](=Cc2ccc1)c1c(cccc1C(C)C)C(C)C)C(C)C.CCOCC
• 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: 15.1338 ± 0.0014 Å
• b: 15.5824 ± 0.0018 Å
• c: 15.638 ± 0.0017 Å
• α: 111.886 ± 0.004°
• β: 95.128 ± 0.004°
• γ: 114.62 ± 0.003°
• Cell volume: 2977.2 ± 0.6 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: 0.0643
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No