Information card for entry 2213944

Structure parameters

• Chemical name: Poly[tetraaquabis(μ-hydrogen maleato)barium(II)]
• Formula: C8 H14 Ba O12
• Calculated formula: C8 H14 Ba O12
• SMILES: [Ba]([OH2])([OH2])([OH2])[OH2].O=C(/C=C\C(=O)[O-])O.[O-]C(=O)/C=C\C(=O)O
• Title of publication: Poly[tetraaquabis(μ-hydrogen maleato)barium(II)]
• Authors of publication: Zheng, Jiang-Lin; Lin, Shu-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1607 - m1609
• a: 6.528 ± 0.002 Å
• b: 19.009 ± 0.007 Å
• c: 11.493 ± 0.005 Å
• α: 90°
• β: 92.345 ± 0.016°
• γ: 90°
• Cell volume: 1425 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.331
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes