Information card for entry 7202504

Structure parameters

• Formula: C39 H39 Ir N2 O2
• Calculated formula: C39 H39 Ir N2 O2
• SMILES: [Ir]123(OC(=CC(=[O]1)C)C)([n]1cccc4c1C(=C2c1ccccc1)CCCC4)[n]1cccc2c1C(=C3c1ccccc1)CCCC2
• Title of publication: Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control
• Authors of publication: Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 841
• a: 14.04 ± 0.02 Å
• b: 14.11 ± 0.02 Å
• c: 17.34 ± 0.02 Å
• α: 101.53 ± 0.06°
• β: 103.15 ± 0.06°
• γ: 102.54 ± 0.05°
• Cell volume: 3151 ± 7 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No