Information card for entry 7060568

Structure parameters

• Formula: C51 H60 Cu6 N18 O27
• Calculated formula: C51 H60 Cu6 N18 O27
• Title of publication: Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)
• Authors of publication: Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 9040 - 9052
• a: 8.2304 ± 0.0006 Å
• b: 14.4079 ± 0.001 Å
• c: 14.8621 ± 0.0013 Å
• α: 99.827 ± 0.007°
• β: 98.481 ± 0.007°
• γ: 102.601 ± 0.006°
• Cell volume: 1663.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1771
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No