Information card for entry 2023044

Structure parameters

• Chemical name: Tetrakis(μ-2-hydroxy-3,5-diisopropylbenzoato)bis[(dimethyl sulfoxide)copper(II)]
• Formula: C56 H80 Cu2 O14 S2
• Calculated formula: C56 H80 Cu2 O14 S2
• Title of publication: Crystal structure of tetra-kis-(μ-2-hy-droxy-3,5-di-isoprop-yl-benzoato)bis-[(dimethyl sulfoxide)copper(II)].
• Authors of publication: Shlian, Daniel G.; Summers, Rachael H.; Martinez, Katelyn; Upmacis, Rita K.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 3
• Pages of publication: 335 - 338
• a: 10.299 ± 0.0017 Å
• b: 11.734 ± 0.002 Å
• c: 12.846 ± 0.002 Å
• α: 87.275 ± 0.003°
• β: 88.918 ± 0.003°
• γ: 72.096 ± 0.002°
• Cell volume: 1475.6 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0719
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No