Information card for entry 2019260

Structure parameters

• Chemical name: Poly[[hexaaqua(μ~4~-benzene-1,2,4,5-tetracarboxylato)dicopper(II)] tetrahydrate]
• Formula: C10 H22 Cu2 O18
• Calculated formula: C5 H7 Cu O7
• Title of publication: The layered structure of poly[[hexaaqua(μ~4~-benzene-1,2,4,5-tetracarboxylato)dicopper(II)] tetrahydrate]
• Authors of publication: Cancino, Patricio; Spodine, Evgenia; Paredes-García, Verónica; Venegas-Yazigi, Diego; Vega, Andrés
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1344 - 1347
• a: 12.1571 ± 0.0003 Å
• b: 18.1138 ± 0.0004 Å
• c: 9.637 ± 0.0004 Å
• α: 90°
• β: 113.405 ± 0.001°
• γ: 90°
• Cell volume: 1947.56 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0314
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No