Information card for entry 7202505

Structure parameters

• Formula: C27 H31 Ir N2 O2
• Calculated formula: C27 H31 Ir N2 O2
• SMILES: [Ir]123([O]=C(C)C=C(O1)C)([n]1cccc4CCCC(=C2C)c14)[n]1cccc2CCCC(=C3C)c12
• 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: 9.89 ± 0.01 Å
• b: 11.24 ± 0.01 Å
• c: 11.79 ± 0.01 Å
• α: 68.15 ± 0.03°
• β: 87.5 ± 0.04°
• γ: 70.81 ± 0.03°
• Cell volume: 1144.2 ± 1.9 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: 0.0205
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No