Information card for entry 7202502

Structure parameters

• Formula: C35 H31 Ir N2 O2
• Calculated formula: C35 H31 Ir N2 O2
• SMILES: [Ir]123([O]=C(C)C=C(O1)C)([n]1c4c(ccc1)CCC4=C2c1ccccc1)[n]1c2c(ccc1)CCC2=C3c1ccccc1
• 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: 11.91 ± 0.02 Å
• b: 13.05 ± 0.02 Å
• c: 18.42 ± 0.04 Å
• α: 94.85 ± 0.06°
• β: 97.12 ± 0.06°
• γ: 94.57 ± 0.06°
• Cell volume: 2819 ± 9 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: 0.0273
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No