Information card for entry 7228790

Structure parameters

• Formula: C54 H31 F4 Ir N6 O2
• Calculated formula: C54 H31 F4 Ir N6 O2
• SMILES: [Ir]123([n]4c(c5c1cc(F)cc5)c(c1ccc(cc1)F)nc1c4cccc1)([n]1c(c4c3cc(F)cc4)c(nc3c1cccc3)c1ccc(cc1)F)Oc1c(cccc1)c1oc(n[n]21)c1ccccc1
• Title of publication: Photoluminescence and electroluminescence of deep red iridium(iii) complexes with 2,3-diphenylquinoxaline derivatives and 1,3,4-oxadiazole derivatives ligands
• Authors of publication: Jing, Yi-Ming; Zheng, You-Xuan
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 59
• Pages of publication: 37021
• a: 29.928 ± 0.01 Å
• b: 18.643 ± 0.006 Å
• c: 22.998 ± 0.008 Å
• α: 90°
• β: 135.639 ± 0.005°
• γ: 90°
• Cell volume: 8972 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No