Information card for entry 7117621

Structure parameters

• Common name: FPYPCA
• Chemical name: (Fpypy)2Ir(dipcca)
• Formula: C40 H36 F4 Ir N7 O
• Calculated formula: C40 H36 F4 Ir N7 O
• SMILES: c12cc(F)nc(c1c1cccc[n]1[Ir]132(c2cc(F)nc(c2c2cccc[n]32)F)[N](=C(n2c3ccccc3c3ccccc23)N1C(C)C)C(C)C)F.CO
• Title of publication: A novel bipolar phosphorescent host for highly efficient deep-red OLEDs at a wide luminance range of 1000-10 000 cd m(-2).
• Authors of publication: Feng, Yansong; Li, Ping; Zhuang, Xuming; Ye, Kaiqi; Peng, Tai; Liu, Yu; Wang, Yue
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 63
• Pages of publication: 12544 - 12547
• a: 11.9138 ± 0.0009 Å
• b: 12.3154 ± 0.0009 Å
• c: 14.3549 ± 0.0011 Å
• α: 99.444 ± 0.001°
• β: 98.544 ± 0.001°
• γ: 116.93 ± 0.001°
• Cell volume: 1791.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No