Information card for entry 2017028

Structure parameters

• Common name: Manganese squarate hexahydrate
• Chemical name: poly[[[hexaaquatrimanganese(II)]-tri-μ-squarato] monohydrate]
• Formula: C12 H14 Mn3 O19
• Calculated formula: C12 H12 Mn3 O18
• Title of publication: A monoclinic pseudopolymorph of manganese squarate dihydrate, Mn(μ-C~4~O~4~)(H~2~O)~2~, built from cubic units
• Authors of publication: Gavilan, Elisabeth; Audebrand, Nathalie
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m156 - m159
• a: 11.5921 ± 0.0002 Å
• b: 11.8471 ± 0.0002 Å
• c: 16.5666 ± 0.0007 Å
• α: 90°
• β: 90.084 ± 0.001°
• γ: 90°
• Cell volume: 2275.13 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes