Information card for entry 2228310

Structure parameters

• Chemical name: Poly[[diaqua(μ~2~-5,5-dioxodibenzo[<i>b</i>,<i>d</i>]thiophene- 3,7-dicarboxylato)(μ~2~-ethylene glycol)manganese(II)] dimethylacetamide solvate]
• Formula: C20 H25 Mn N O11 S
• Calculated formula: C20 H25 Mn N O11 S
• Title of publication: Poly[[diaqua(μ~2~-5,5-dioxodibenzo[<i>b</i>,<i>d</i>]thiophene-3,7-dicarboxylato)(μ~2~-ethylene glycol)manganese(II)] dimethylacetamide solvate]
• Authors of publication: Yi, Xiu-Chun; Yan, Li; Gao, En-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1554
• a: 7.0564 ± 0.0003 Å
• b: 11.8142 ± 0.0004 Å
• c: 28.0008 ± 0.001 Å
• α: 90°
• β: 100.544 ± 0.001°
• γ: 90°
• Cell volume: 2294.89 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes