Information card for entry 2201302

Structure parameters

• Common name: Poly[[diaqua(μ~4~-squarato-O,O',O'',O''')manganese(II)] 0.93-hydrate]
• Chemical name: Poly[[diaqua(μ~4~-squarato-O,O',O'',O''')manganese(II)] 0.93-hydrate]
• Formula: C4 H5.86 Mn O6.93
• Calculated formula: C4 H4 Mn O6.93
• Title of publication: Poly[[diaqua(μ~4~-squarato-<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''')manganese(II)] 0.93-hydrate]
• Authors of publication: Greve, Jan; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: m625 - m627
• a: 16.5527 ± 0.0008 Å
• b: 16.5527 ± 0.0008 Å
• c: 16.5527 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4535.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :2
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes