Information card for entry 2312517

Structure parameters

• Chemical name: Tetrakis(μ-4-hydroxybenzoato)bis[(4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide)copper(II)] dioxane disolvate
• Formula: C56 H52 Cu2 N4 O20
• Calculated formula: C56 H52 Cu2 N4 O20
• Title of publication: Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.
• Authors of publication: Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• a: 17.5993 ± 0.0003 Å
• b: 16.4583 ± 0.0002 Å
• c: 19.7389 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5717.46 ± 0.13 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No