Information card for entry 7706741

Structure parameters

• Formula: C57 H68 Cl2 Mn2 N8 O11
• Calculated formula: C57 H67 Cl2 Mn2 N8 O11
• Title of publication: Structure and electrochemical properties of (μ-O)₂Mn₂(iii,iii) and (μ-O)₂Mn₂(iii,iv) complexes supported by pyridine-, quinoline-, isoquinoline- and quinoxaline-based tetranitrogen ligands.
• Authors of publication: Mikata, Yuji; Kuroda, Yasuko; Naito, Kyoko; Murakami, Kana; Yamamoto, Chihiro; Yabe, Shoko; Yonemura, Shizuka; Matsumoto, Arimasa; Katano, Hajime
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 4133 - 4144
• a: 9.302 ± 0.003 Å
• b: 12.216 ± 0.003 Å
• c: 24.174 ± 0.007 Å
• α: 90°
• β: 99.794 ± 0.003°
• γ: 90°
• Cell volume: 2706.9 ± 1.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No