Information card for entry 8106700

Structure parameters

• Formula: C40 H40 Br4 Cl4 Mn4 O16
• Calculated formula: C40 H40 Br4 Cl4 Mn4 O16
• Title of publication: Crystal structure of bis(μ3-methanolato-κ3 O:O:O)-bis(μ2-methanolato-κ2 O:O)-dimethanol-bis{6,6′-(1,3-dihydroxyl-2-acetylpropane-1,3-diyl)bis(2-chloro-4-bromophenolato)}tetramanganese(III) C40H40Br4Cl4Mn4O16
• Authors of publication: Zhao, Ji-Xing; Zhao, Li; Wang, Fei; An, Qin-Qin; Li, Peng-Peng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 851 - 853
• a: 9.3724 ± 0.0009 Å
• b: 11.7867 ± 0.0016 Å
• c: 12.3994 ± 0.0018 Å
• α: 70.65 ± 0.013°
• β: 75.462 ± 0.01°
• γ: 81.085 ± 0.01°
• Cell volume: 1247.1 ± 0.3 ų
• Cell temperature: 294.06 ± 0.1 K
• Ambient diffraction temperature: 294.06 ± 0.1 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: 0.1218
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No