Information card for entry 2016573

Structure parameters

• Chemical name: catena-Poly[[(acetato-κ^2^O,O')triaquabarium(II)]- μ~3~-acetato-κ^4^O:O,O':O']
• Formula: C4 H12 Ba O7
• Calculated formula: C4 H12 Ba O7
• Title of publication: <i>catena</i>-Poly[[(acetato-κ^2^<i>O</i>,<i>O</i>')triaquabarium(II)]-μ~3~-acetato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>']
• Authors of publication: Freire, Eleonora; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m164 - m166
• a: 16.02 ± 0.003 Å
• b: 7.4892 ± 0.0015 Å
• c: 9.1211 ± 0.0018 Å
• α: 90°
• β: 113.23 ± 0.03°
• γ: 90°
• Cell volume: 1005.6 ± 0.4 ų
• Cell temperature: 263 ± 2 K
• Ambient diffraction temperature: 263 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes