Information card for entry 7202506

Structure parameters

• Formula: C49 H43 Cl3 Ir N3
• Calculated formula: C49 H43 Cl3 Ir N3
• SMILES: [Ir]123([n]4cccc5c4C(=C1c1ccccc1)CCC5)([n]1cccc4c1C(=C2c1ccccc1)CCC4)[n]1cccc2c1C(=C3c1ccccc1)CCC2.ClC(Cl)Cl
• 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: 15.87 ± 0.02 Å
• b: 20.7 ± 0.02 Å
• c: 24.37 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8006 ± 16 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No