Information card for entry 2016945

Structure parameters

• Chemical name: poly[[[diaquacopper(II)]-di-μ-4,4'-bipyridyl] bis(3-carboxy-1-benzofuran-2-carboxylate) pentahydrate]
• Formula: C40 H40 Cu N4 O17
• Calculated formula: C40 H40 Cu N4 O17
• Title of publication: Square-grid coordination networks of diaquabis(4,4'-bipyridyl)copper(II) crosslinked by hydrogen bonds through two monoanions of 1-benzofuran-2,3-dicarboxylic acid and five molecules of water
• Authors of publication: Koner, Rajesh; Goldberg, Israel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m62 - m65
• a: 15.847 ± 0.0002 Å
• b: 22.2874 ± 0.0003 Å
• c: 22.5446 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7962.49 ± 0.18 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes