Information card for entry 8107075

Structure parameters

• Formula: C22 H28 Br Mn N2 O4
• Calculated formula: C22 H28 Br Mn N2 O4
• SMILES: [Br-].[Mn]123(Oc4ccccc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2ccccc2O1)([OH]C)[OH]C.[Br-].[Mn]123(Oc4ccccc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2ccccc2O1)([OH]C)[OH]C
• Title of publication: Crystal structure of (2,2′(cyclohexane-1,2-diylbis(nitrilo(E)methylylidene))diphenolato-κ4 O,O′,N,N′)dimethanolmanganese(III) bromide, C22H28BrMnN2O4
• Authors of publication: Li, Shengli; Li, Zhenhua; Kong, Lingqian; Ju, Xiuping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 995 - 997
• a: 8.0695 ± 0.0003 Å
• b: 14.5673 ± 0.0005 Å
• c: 19.1743 ± 0.0006 Å
• α: 90°
• β: 99.692 ± 0.003°
• γ: 90°
• Cell volume: 2221.78 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0601
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No