Information card for entry 7706750

Structure parameters

• Formula: C36 H50 N2 Ni O2
• Calculated formula: C36 H50 N2 Ni O2
• Title of publication: Formation of Ni(II)-phenoxyl radical complexes by O₂: a mechanistic insight into the reaction of Ni(II)-phenol complexes with O₂.
• Authors of publication: Suzuki, Takashi; Sato, Akari; Oshita, Hiromi; Yajima, Tatsuo; Tani, Fumito; Abe, Hitoshi; Mieda-Higa, Kaoru; Yanagisawa, Sachiko; Ogura, Takashi; Shimazaki, Yuichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 5161 - 5170
• a: 29.082 ± 0.0017 Å
• b: 9.6176 ± 0.0005 Å
• c: 23.3195 ± 0.0012 Å
• α: 90°
• β: 96.96 ± 0.007°
• γ: 90°
• Cell volume: 6474.4 ± 0.6 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No