Information card for entry 7706751

Structure parameters

• Formula: C35 H53 Cl N2 Ni O9
• Calculated formula: C35 H53 Cl N2 Ni O9
• SMILES: [Ni]123([OH]c4c(cc(OC)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: 11.1065 ± 0.0009 Å
• b: 14.0921 ± 0.0011 Å
• c: 14.484 ± 0.0013 Å
• α: 106.612 ± 0.008°
• β: 110.723 ± 0.008°
• γ: 106.927 ± 0.008°
• Cell volume: 1826.8 ± 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: 0.1229
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.214
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No