Information card for entry 7034274

Structure parameters

• Formula: C52 H40 B Cu F7 N3 O P2
• Calculated formula: C52 H40 B Cu F7 N3 O P2
• SMILES: [Cu]12([P](c3ccccc3)(c3c(Oc4c([P]1(c1ccccc1)c1ccccc1)cccc4)cccc3)c1ccccc1)[n]1c(c3[n]2n(cc3)c2ccc(C(F)(F)F)cc2)cccc1C.[B](F)(F)(F)[F-]
• Title of publication: Outstanding blue delayed fluorescence and significant processing stability of cuprous complexes with functional pyridine-pyrazolate diimine ligands.
• Authors of publication: Zhang, Qing; Chen, Jun; Wu, Xiao-Yuan; Chen, Xu-Lin; Yu, Rongmin; Lu, Can-Zhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 6706 - 6710
• a: 20.7888 ± 0.0003 Å
• b: 13.5681 ± 0.0002 Å
• c: 32.2236 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9089.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No