Information card for entry 7706735

Structure parameters

• Formula: C52 H58 Cl3 Mn2 N10 O14
• Calculated formula: C52 H58 Cl3 Mn2 N10 O14
• SMILES: [Mn]12345([Mn]678(O1)(O2)[N](CC[N]6(Cc1[n]8ccc2ccccc12)C)(Cc1[n]7ccc2ccccc12)C)[N](CC[N]3(Cc1[n]5ccc2ccccc12)C)(Cc1[n]4ccc2ccccc12)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].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: 12.3782 ± 0.0019 Å
• b: 17.197 ± 0.003 Å
• c: 25.59 ± 0.004 Å
• α: 90°
• β: 93.913 ± 0.003°
• γ: 90°
• Cell volume: 5434.6 ± 1.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No