Information card for entry 7057391

Structure parameters

• Formula: C30 H44 Cu2 N4 O8
• Calculated formula: C30 H44 Cu2 N4 O8
• 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: 8.654 ± 0.002 Å
• b: 8.757 ± 0.002 Å
• c: 11.861 ± 0.003 Å
• α: 101.973 ± 0.005°
• β: 101.335 ± 0.003°
• γ: 109.734 ± 0.005°
• Cell volume: 792.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0784
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No