Information card for entry 7706738

Structure parameters

• Formula: C62 H78 Cl3 Mn2 N11 O16.5
• Calculated formula: C62 H70 Cl3 Mn2 N11 O16.5
• 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: 11.2594 ± 0.0003 Å
• b: 14.5121 ± 0.0001 Å
• c: 22.1759 ± 0.0005 Å
• α: 75.873 ± 0.007°
• β: 84.419 ± 0.007°
• γ: 74.52 ± 0.005°
• Cell volume: 3384.43 ± 0.18 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.0784
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No