Information card for entry 4078567

Structure parameters

• Formula: C27.5 H34.5 Cl3 Ir O1.5 P S2
• Calculated formula: C27.5 H34.5 Cl3 Ir O1.5 P S2
• Title of publication: Mechanistic Investigation of Improved Syntheses of Iridium(III)-Based OLED Phosphors
• Authors of publication: Lin, Cheng-Huei; Chiu, Yuan-Chieh; Chi, Yun; Tao, Yu-Tai; Liao, Liang-Sheng; Tseng, Meu-Rurng; Lee, Gene-Hsiang
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4349
• a: 13.1972 ± 0.0007 Å
• b: 10.2905 ± 0.0005 Å
• c: 21.7022 ± 0.0011 Å
• α: 90°
• β: 95.0332 ± 0.0011°
• γ: 90°
• Cell volume: 2935.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No