Information card for entry 2225861

Structure parameters

• Chemical name: Bis[2-(1<i>H</i>-benzimidazol-2-yl)phenolato]dimethanolmanganese(III) chloride
• Formula: C28 H26 Cl Mn N4 O4
• Calculated formula: C28 H26 Cl Mn N4 O4
• SMILES: [OH](C)[Mn]12([n]3c(c4c(cccc4)O2)[nH]c2c3cccc2)([n]2c(c3c(cccc3)O1)[nH]c1c2cccc1)[OH]C.[Cl-]
• Title of publication: Bis[2-(1<i>H</i>-benzimidazol-2-yl)phenolato]dimethanolmanganese(III) chloride
• Authors of publication: Ma, Qi; Zhu, Miaoli; Feng, Sisi; Lu, Liping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m523
• a: 17.897 ± 0.004 Å
• b: 9.0349 ± 0.0019 Å
• c: 16.024 ± 0.003 Å
• α: 90°
• β: 93.502 ± 0.004°
• γ: 90°
• Cell volume: 2586.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes