Information card for entry 7706749

Structure parameters

• Formula: C40 H58 Cl N2 Ni O10
• Calculated formula: C40 H58 Cl N2 Ni O10
• 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: 11.4551 ± 0.0007 Å
• b: 14.5863 ± 0.0009 Å
• c: 15.9271 ± 0.0011 Å
• α: 63.7131 ± 0.0018°
• β: 71.4309 ± 0.0018°
• γ: 68.2716 ± 0.0015°
• Cell volume: 2178 ± 0.2 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 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: 0.0904
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No