Information card for entry 2312519

Structure parameters

• Chemical name: Bis(μ-acetato)bis(μ-4-hydroxybenzoato)bis[(1,4-diazabicyclo[2.2.2]octane)\ copper(II)] dioxane decasolvate
• Formula: C70 H120 Cu2 N4 O30
• Calculated formula: C70 H120 Cu2 N4 O30
• 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: 9.7404 ± 0.0003 Å
• b: 20.3001 ± 0.0004 Å
• c: 22.9088 ± 0.0007 Å
• α: 90°
• β: 118.494 ± 0.004°
• γ: 90°
• Cell volume: 3981.1 ± 0.2 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.2704
• Weighted residual factors for all reflections included in the refinement: 0.2874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No