Information card for entry 1573392

Structure parameters

• Formula: C85 H76 Ag B F4 N4 O2 P2
• Calculated formula: C85 H75.625 Ag B F4 N4 O2 P2
• Title of publication: TADF-emitting copper(i) and silver(i) complexes featuring intra-ligand charge transfer based on a donor–acceptor–donor ligand
• Authors of publication: Wang, Xinwei; Li, Weijun; Li, Xiao; Hou, Chenlu; Wei, Sanyue; Lei, Wenxin; Chen, Xu-Lin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 755 - 760
• a: 19.2498 ± 0.0002 Å
• b: 25.6897 ± 0.0003 Å
• c: 31.4864 ± 0.0004 Å
• α: 77.9013 ± 0.001°
• β: 78.6755 ± 0.001°
• γ: 89.8003 ± 0.0009°
• Cell volume: 14916.9 ± 0.3 ų
• Cell temperature: 113 ± 20 K
• Ambient diffraction temperature: 113 ± 20 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No