Information card for entry 4086959

Structure parameters

• Formula: C82 H97 Br3 N11 Ni3 O2
• Calculated formula: C84.425 H91 Br3 N9 Ni3 O2.5
• 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: 15.8492 ± 0.0006 Å
• b: 16.5968 ± 0.0007 Å
• c: 18.1661 ± 0.0007 Å
• α: 109.771 ± 0.002°
• β: 107.782 ± 0.002°
• γ: 96.691 ± 0.002°
• Cell volume: 4151.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No