Information card for entry 2312509

Structure parameters

• Chemical name: Tetrakis(μ-4-hydroxybenzoato)bis[(dioxane)copper(II)] dioxane tetrasolvate
• Formula: C52 H68 Cu2 O24
• Calculated formula: C52 H68 Cu2 O24
• 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: 27.7701 ± 0.0008 Å
• b: 21.2278 ± 0.0004 Å
• c: 9.3888 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5534.7 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0833
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No