Information card for entry 7039565

Structure parameters

• Formula: C30 H43 F12 N6 Ni O Sb2
• Calculated formula: C30 H43 F12 N6 Ni O Sb2
• Title of publication: Ligand effects on the properties of Ni(iii) complexes: aerobically-induced aromatic cyanation at room temperature.
• Authors of publication: Zhou, Wen; Watson, Michael B.; Zheng, Shuai; Rath, Nigam P.; Mirica, Liviu M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15886 - 15893
• a: 9.5192 ± 0.0005 Å
• b: 11.0107 ± 0.0006 Å
• c: 35.5858 ± 0.0018 Å
• α: 90°
• β: 90.808 ± 0.003°
• γ: 90°
• Cell volume: 3729.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No