Information card for entry 4350399

Structure parameters

• Formula: C38 H36 Cl F6 Ir N8 O0.5 P
• Calculated formula: C37.58 H35.5 Cl F6 Ir N8 O0.88 P
• Title of publication: Highly phosphorescent iridium complexes containing both tridentate bis(benzimidazolyl)-benzene or -pyridine and bidentate phenylpyridine: synthesis, photophysical properties, and theoretical study of Ir-bis(benzimidazolyl)benzene complex.
• Authors of publication: Obara, Shinya; Itabashi, Masumi; Okuda, Fumio; Tamaki, Satoru; Tanabe, Yoshiaki; Ishii, Youichi; Nozaki, Koichi; Haga, Masa-Aki
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8907 - 8921
• a: 11.156 ± 0.002 Å
• b: 16.503 ± 0.003 Å
• c: 21.44 ± 0.004 Å
• α: 90°
• β: 102.924 ± 0.003°
• γ: 90°
• Cell volume: 3847.3 ± 1.2 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No