Information card for entry 7706742

Structure parameters

• Formula: C66 H57 Cl3 Mn2 N11 O14
• Calculated formula: C66 H57 Cl3 Mn2 N11 O14
• SMILES: [Mn]12345([Mn]678(O1)(O2)[N](Cc1[n]6ccc2ccccc12)(Cc1[n]7ccc2ccccc12)Cc1[n]8ccc2ccccc12)[N](Cc1[n]3ccc2ccccc12)(Cc1[n]4ccc2ccccc12)Cc1[n]5ccc2ccccc12.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC.N#CC
• 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: 23.2584 ± 0.0013 Å
• b: 20.6984 ± 0.0009 Å
• c: 13.4561 ± 0.0009 Å
• α: 90°
• β: 98.163 ± 0.003°
• γ: 90°
• Cell volume: 6412.3 ± 0.6 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No