Information card for entry 2203562

Structure parameters

• Chemical name: Hexaaquamanganese(II) benzene-1,4-dioxyacetate
• Formula: C10 H20 Mn O12
• Calculated formula: C10 H20 Mn O12
• SMILES: c1c(OCC(=O)[O-])ccc(c1)OCC(=O)[O-].[Mn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Hexaaquamanganese(II) benzene-1,4-dioxyacetate
• Authors of publication: Liu, Ji-Wei; Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m517 - m518
• a: 5.6556 ± 0.0006 Å
• b: 6.3747 ± 0.0007 Å
• c: 11.637 ± 0.002 Å
• α: 101.809 ± 0.006°
• β: 96.159 ± 0.008°
• γ: 106.986 ± 0.005°
• Cell volume: 386.45 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes