Information card for entry 7220084

Structure parameters

• Formula: C51 H38 B Cu F7 N3 O P2
• Calculated formula: C51 H38 B Cu F7 N3 O P2
• SMILES: [Cu]12([n]3n(c4ccc(C(F)(F)F)cc4)ccc3c3[n]2cccc3)[P](c2c(Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)cccc2)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Four highly efficient cuprous complexes and their applications in solution-processed organic light-emitting diodes
• Authors of publication: Zhang, Qing; Chen, Xu-Lin; Chen, Jun; Wu, Xiao-Yuan; Yu, Rong-Min; Lu, Can-Zhong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.897 ± 0.003 Å
• b: 13.698 ± 0.004 Å
• c: 18.292 ± 0.005 Å
• α: 90.898 ± 0.003°
• β: 90.739 ± 0.002°
• γ: 108.964 ± 0.005°
• Cell volume: 2344.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0814
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No