Information card for entry 7233958

Structure parameters

• Formula: C43 H52 B Cu F4 N5 P
• Calculated formula: C43 H52 B Cu F4 N5 P
• SMILES: [Cu]12([n]3c(cccc3Cn3[n]2c(cc3C(C)C)C(C)C)Cn2[n]1c(cc2C(C)C)C(C)C)[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: 16.775 ± 0.006 Å
• b: 16.685 ± 0.006 Å
• c: 18.348 ± 0.007 Å
• α: 90°
• β: 112.177 ± 0.009°
• γ: 90°
• Cell volume: 4756 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1779
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No