Information card for entry 2312514

Structure parameters

• Chemical name: Bis(tetraethylammonium) tetrakis(μ-4-hydroxybenzoato)bis[aquacopper(II)] dinitrate
• Formula: C44 H64 Cu2 N4 O20
• Calculated formula: C44 H64 Cu2 N4 O20
• 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: 10.4964 ± 0.0003 Å
• b: 10.6595 ± 0.0002 Å
• c: 12.3226 ± 0.0003 Å
• α: 97.271 ± 0.002°
• β: 101.042 ± 0.002°
• γ: 108.13 ± 0.002°
• Cell volume: 1260.15 ± 0.06 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No