Information card for entry 1573391

Structure parameters

• Formula: C87 H81 B Cu F4 N4 O2.5 P2
• Calculated formula: C81 H66 B Cu F4 N4 O 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: 19.927 ± 0.003 Å
• b: 21.694 ± 0.003 Å
• c: 34.974 ± 0.006 Å
• α: 90°
• β: 104.466 ± 0.005°
• γ: 90°
• Cell volume: 14640 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• 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: 0.1146
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2148
• Weighted residual factors for all reflections included in the refinement: 0.2459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No