Information card for entry 2312512

Structure parameters

• Chemical name: (1-Aza-4-azoniabicyclo[2.2.2]octane)(1,4-diazabicyclo[2.2.2]octane)tris(μ-4-hydroxybenzoato)(μ-4-oxidobenzoato)dicopper(II) methanol trisolvate
• Formula: C43 H56 Cu2 N4 O15
• Calculated formula: C20 H22 Cu N2 O6
• 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: 8.886 ± 0.0018 Å
• b: 10.702 ± 0.002 Å
• c: 12.36 ± 0.003 Å
• α: 73.13 ± 0.03°
• β: 73.07 ± 0.03°
• γ: 81.68 ± 0.03°
• Cell volume: 1073.8 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.1071
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2433
• Weighted residual factors for all reflections included in the refinement: 0.2626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No