Information card for entry 2239725

Structure parameters

• Chemical name: Poly[[hexaaquasesqui(μ-benzene-1,2,4,5-tetracarboxylato)dicopper(II)disodium] monohydrate]
• Formula: C15 H17 Cu2 Na2 O19
• Calculated formula: C15 H13 Cu2 Na2 O19
• Title of publication: Poly[[hexaaquasesqui(μ-benzene-1,2,4,5-tetracarboxylato)dicopper(II)disodium] monohydrate]
• Authors of publication: Camara, Magatte; Keita, Mohamed Fadel; Cisse, Cherif Cheikh Samsidine; Daiguebonne, Carole; Guillou, Olivier
• Journal of publication: Acta Crystallographica Section E Structure Reports Online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: m284
• a: 8.0844 ± 0.0001 Å
• b: 16.9103 ± 0.0003 Å
• c: 15.6815 ± 0.0003 Å
• α: 90°
• β: 98.055 ± 0.001°
• γ: 90°
• Cell volume: 2122.66 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1312
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes