Information card for entry 1564449

Structure parameters

• Formula: C22 H24 Cl2 Mn N6
• Calculated formula: C22 H24 Cl2 Mn N6
• SMILES: C1[N]2(Cc3cnc4ccccc4[n]3[Mn]32(Cl)([N](C1)(Cc1cnc2ccccc2[n]31)C)Cl)C
• Title of publication: Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand
• Authors of publication: Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 509
• Pages of publication: 119688
• a: 15.159 ± 0.004 Å
• b: 8.142 ± 0.002 Å
• c: 18.374 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2267.8 ± 1 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No