Information card for entry 7233957

Structure parameters

• Formula: C35 H36 B Cu F4 N5 P
• Calculated formula: C35 H36 B Cu F4 N5 P
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3c(cccc3Cn3[n]1c(cc3C)C)Cn1[n]2c(cc1C)C.[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: 20.5475 ± 0.0013 Å
• b: 10.2304 ± 0.0006 Å
• c: 32.811 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6897.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1386
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.2609
• Weighted residual factors for all reflections included in the refinement: 0.2945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No