Information card for entry 7038768

Structure parameters

• Formula: C44 H30 F6 Ir N7 O2 P2
• Calculated formula: C44 H30 F6 Ir N7 O2 P2
• SMILES: c1(C(F)(F)F)nc2c(cn1)c1cccc[n]1[Ir]132(c2c(cnc(C(F)(F)F)n2)c2cccc[n]12)[O]=P(c1ccccc1)(c1ccccc1)N=P(c1ccccc1)(c1ccccc1)O3
• Title of publication: Crystal structure, photoluminescence and electroluminescence of three bluish green light-emitting iridium complexes.
• Authors of publication: Xu, Qiu-Lei; Liang, Xiao; Jiang, Liang; Zhao, Yue; Zheng, You-Xuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7366 - 7372
• a: 11.212 ± 0.0003 Å
• b: 17.6716 ± 0.0005 Å
• c: 20.9835 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4157.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No