Information card for entry 2312518

Structure parameters

• Chemical name: (μ-Acetato)(dioxane)tris(μ-4-hydroxybenzoato)dicopper(II) dioxane 3.5-solvate
• Formula: C41 H54 Cu2 O20
• Calculated formula: C31 H34 Cu2 O15
• 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: 19.4801 ± 0.0002 Å
• b: 13.0774 ± 0.0002 Å
• c: 34.5443 ± 0.0005 Å
• α: 90°
• β: 97.702 ± 0.001°
• γ: 90°
• Cell volume: 8720.7 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No