Information card for entry 7044896

Structure parameters

• Formula: C33 H43 N3 O3
• Calculated formula: C33 H43 N3 O3
• Title of publication: Indirect evidence for a Ni^III-oxyl oxidant in the reaction of a Ni^II complex with peracid.
• Authors of publication: Pirovano, Paolo; Berry, Abigail R.; Swart, Marcel; McDonald, Aidan R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 47
• Journal issue: 1
• Pages of publication: 246 - 250
• a: 8.7435 ± 0.0004 Å
• b: 8.7435 ± 0.0004 Å
• c: 69.045 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4571.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No