Information card for entry 7706752

Structure parameters

• Formula: C36 H55 Cl N3 Ni O8
• Calculated formula: C36 H55 Cl N3 Ni O8
• SMILES: [Ni]123(Oc4c(cc(N(C)C)cc4C[N]2(Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)Cc1[n]3cccc1)C(C)(C)C)([OH]C)[OH]C.Cl(=O)(=O)(=O)[O-]
• 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: 11.2054 ± 0.0014 Å
• b: 14.0233 ± 0.0016 Å
• c: 14.5332 ± 0.0015 Å
• α: 105.82 ± 0.007°
• β: 110.39 ± 0.008°
• γ: 107.239 ± 0.007°
• Cell volume: 1855.5 ± 0.4 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: 0.0739
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No