Information card for entry 2312621

Structure parameters

• Chemical name: Tetrakis(μ-3,4-diethoxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(ethanol-κ<i>O</i>)copper(II)]
• Formula: C48 H64 Cu2 O18
• Calculated formula: C48 H64 Cu2 O18
• Title of publication: Synthesis, crystal structure, magnetic behaviour and thermal stability of a paddle-wheel copper(II) complex bearing equatorial 3,4-diethoxybenzoate ligands.
• Authors of publication: Bermúdez, Mariano Marziali; Muller, Federico G.; Baggio, Ricardo; Cukiernik, Fabio D.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 10
• a: 13.3799 ± 0.0008 Å
• b: 13.7269 ± 0.0012 Å
• c: 21.7569 ± 0.0013 Å
• α: 83.135 ± 0.006°
• β: 81.967 ± 0.005°
• γ: 86.064 ± 0.006°
• Cell volume: 3922.9 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes