Information card for entry 7233959

Structure parameters

• Formula: C55 H44 B Cu F4 N5 P
• Calculated formula: C55 H44 B Cu F4 N5 P
• SMILES: [Cu]12([n]3c(cccc3Cn3[n]2c(cc3c2ccccc2)c2ccccc2)Cn2[n]1c(cc2c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Phosphorescent Cu(I) complexes based on bis(pyrazol-1-yl-methyl)-pyridine derivatives for organic light-emitting diodes
• Authors of publication: Fengshou Wu; Jie Li; Hongbo Tong; Zaoying Li; Chihaya Adachi; Adam Langlois; Pierre D. Harvey; Li Liu; Wai-Yeung Wong; Wai-Kwok Wong; Xunjin Zhu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 138 - 146
• a: 13.96 ± 0.04 Å
• b: 14.57 ± 0.02 Å
• c: 14.67 ± 0.02 Å
• α: 117.544 ± 0.019°
• β: 99.86 ± 0.03°
• γ: 95.08 ± 0.03°
• Cell volume: 2558 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1926
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2268
• Weighted residual factors for all reflections included in the refinement: 0.2854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No