Information card for entry 2312511

Structure parameters

• Chemical name: Triaqua(dioxane)lithium tris(μ-4-hydroxybenzoato)(μ-4-oxidobenzoato)bis[aquacopper(II)] dioxane disolvate monohydrate
• Formula: C40 H49 Cu2 Li O24
• Calculated formula: C40 H49 Cu2 Li 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: 9.7711 ± 0.0008 Å
• b: 10.1924 ± 0.0006 Å
• c: 12.5863 ± 0.0007 Å
• α: 73.615 ± 0.005°
• β: 79.528 ± 0.006°
• γ: 83.412 ± 0.006°
• Cell volume: 1179.87 ± 0.14 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 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: 0.1141
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2416
• Weighted residual factors for all reflections included in the refinement: 0.2608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No