Information card for entry 7034271

Structure parameters

• Formula: C52 H43 B Cu F4 N3 O P2
• Calculated formula: C52 H43 B Cu F4 N3 O P2
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3c(Oc4c([P]1(c1ccccc1)c1ccccc1)cccc4)cccc3)[n]1n(c3c(C)cccc3)ccc1c1[n]2c(C)ccc1.[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: 24.905 ± 0.005 Å
• b: 15.045 ± 0.003 Å
• c: 15.151 ± 0.003 Å
• α: 90°
• β: 127.405 ± 0.003°
• γ: 90°
• Cell volume: 4509.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No