Information card for entry 7041405

Structure parameters

• Formula: C39 H18 F15 Ir N6 O2
• Calculated formula: C39 H18 F15 Ir N6 O2
• SMILES: c12c(cc(C(F)(F)F)nc1C(F)(F)F)c1cccc[n]1[Ir]132(c2c(C(F)(F)F)nc(cc2c2cccc[n]12)C(F)(F)F)[n]1c(c2c(cccc2)O3)oc(c2ccc(cc2)C(F)(F)F)n1
• Title of publication: Photoluminescence and electroluminescence of iridium(iii) complexes with 2',6'-bis(trifluoromethyl)-2,4'-bipyridine and 1,3,4-oxadiazole/1,3,4-thiadiazole derivative ligands.
• Authors of publication: Jing, Yi-Ming; Zhao, Yue; Zheng, You-Xuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 845 - 853
• a: 11.6755 ± 0.0005 Å
• b: 13.786 ± 0.0005 Å
• c: 24.0468 ± 0.0009 Å
• α: 90°
• β: 93.223 ± 0.001°
• γ: 90°
• Cell volume: 3864.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No