Information card for entry 7057390

Structure parameters

• Formula: C26 H34 Cu2 N10 O2
• Calculated formula: C26 H34 Cu2 N10 O2
• Title of publication: Quantifying conventional C‒H⋯π(aryl) and unconventional C‒H⋯π(chelate) interactions in dinuclear Cu(ii) complexes: experimental observations, Hirshfeld surface and theoretical DFT study
• Authors of publication: Maity, Tithi; Mandal, Haridas; Bauzá, Antonio; Samanta, Bidhan Chandra; Frontera, Antonio; Seth, Saikat Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 12
• Pages of publication: 10202
• a: 19.302 ± 0.006 Å
• b: 7.5206 ± 0.0019 Å
• c: 20.583 ± 0.006 Å
• α: 90°
• β: 111.211 ± 0.013°
• γ: 90°
• Cell volume: 2785.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No