Information card for entry 2312510

Structure parameters

• Chemical name: Tetraethylammonium aquatris(μ-4-hydroxybenzoato)methanol(μ-4-oxidobenzoato)dicopper(II) dioxane disolvate
• Formula: C45 H61 Cu2 N O18
• Calculated formula: C45 H61 Cu2 N O18
• 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: 10.1659 ± 0.0004 Å
• b: 10.7383 ± 0.0006 Å
• c: 12.9878 ± 0.0004 Å
• α: 76.132 ± 0.004°
• β: 69.646 ± 0.003°
• γ: 75.304 ± 0.004°
• Cell volume: 1267.74 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No