Information card for entry 7234822

Structure parameters

• Formula: C67 H36.5 B F24 Ir N5 O
• Calculated formula: C67 H36.5 B F24 Ir N5 O
• SMILES: [Ir]123([n]4c(c5[n]1[nH+]c(o5)c1ccccc1)cccc4)([n]1c(c4c2cccc4)cccc1)[n]1ccccc1c1ccccc31.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Orange-red- and white-emitting diodes fabricated by vacuum evaporation deposition of sublimable cationic iridium complexes
• Authors of publication: Dongxin Ma; Lian Duan; Yong Qiu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 5051 - 5058
• a: 16.505 ± 0.003 Å
• b: 16.849 ± 0.003 Å
• c: 23.262 ± 0.005 Å
• α: 90°
• β: 95.08 ± 0.03°
• γ: 90°
• Cell volume: 6444 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No