Information card for entry 2022994

Structure parameters

• Chemical name: Bis(dimethyl sulfoxide)tetrakis(μ-pyrene-1-carboxylato)dicopper(<i>Cu</i>—<i>Cu</i>)
• Formula: C72 H48 Cu2 O10 S2
• Calculated formula: C72 H48 Cu2 O10 S2
• Title of publication: New copper carboxyl-ate pyrene dimers: synthesis, crystal structure, Hirshfeld surface analysis and electrochemical characterization.
• Authors of publication: Nogué-Guzmán, Vianca C; Burgos-Suazo, Alejandro; Rivera-Reyes, Javier O; Montes Quiñones, Vasti P; Ramis-Aybar, Paola C; Burgos-Jiménez, Adriana C; González-Nieves, Karilys; Piñero-Cruz, Dalice M
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 1
• Pages of publication: 1 - 9
• a: 10.5283 ± 0.0001 Å
• b: 11.8583 ± 0.0002 Å
• c: 11.9401 ± 0.0001 Å
• α: 101.044 ± 0.001°
• β: 98.136 ± 0.001°
• γ: 104.142 ± 0.001°
• Cell volume: 1390.69 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes