Information card for entry 2312515

Structure parameters

• Chemical name: Bis[8-(dimethylamino)-<i>N</i>,<i>N</i>-dimethylnaphthalen-1-aminium] bis(μ-4-hydroxybenzoato)bis(μ-4-oxidobenzoato)bis[aquacopper(II)] dioxane trisolvate monohydrate
• Formula: C68 H84 Cu2 N4 O21
• Calculated formula: C56 H60 Cu2 N4 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: 10.2155 ± 0.0002 Å
• b: 12.0897 ± 0.0003 Å
• c: 15.7111 ± 0.0004 Å
• α: 69.581 ± 0.003°
• β: 75.988 ± 0.002°
• γ: 79.651 ± 0.002°
• Cell volume: 1754.64 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 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: 0.0693
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No