Information card for entry 2022995

Structure parameters

• Chemical name: Bis(dimethylformamide)tetrakis(μ-pyrene-1-carboxylato)dicopper(<i>Cu</i>—<i>Cu</i>)
• Formula: C74 H50 Cu2 N2 O10
• Calculated formula: C74 H50 Cu2 N2 O10
• 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: 10.54266 ± 0.00013 Å
• b: 21.8888 ± 0.0002 Å
• c: 12.66517 ± 0.00015 Å
• α: 90°
• β: 100.116 ± 0.0011°
• γ: 90°
• Cell volume: 2877.26 ± 0.06 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes