Information card for entry 7034270

Structure parameters

• Formula: C51 H41 B Cu F4 N3 O P2
• Calculated formula: C51 H41 B Cu F4 N3 O P2
• SMILES: [Cu]12([n]3n(c4ccccc4)ccc3c3[n]2c(ccc3)C)[P](c2ccccc2Oc2ccccc2[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[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: 10.1555 ± 0.0002 Å
• b: 14.5701 ± 0.0003 Å
• c: 14.7592 ± 0.0003 Å
• α: 90°
• β: 92.645 ± 0.002°
• γ: 90°
• Cell volume: 2181.54 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No