Information card for entry 4073786

Structure parameters

• Formula: C43 H30 Cl4 F6 Ir N6 O0 P
• Calculated formula: C43 H28 Cl4 F6 Ir N6 P
• Title of publication: Tuning Photophysical and Electrochemical Properties of Cationic Iridium(III) Complex Salts with Imidazolyl Substituents by Proton and Anions
• Authors of publication: Zhao, Qiang; Liu, Shujuan; Shi, Mei; Li, Fuyou; Jing, Hao; Yi, Tao; Huang, Chunhui
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5922
• a: 14.079 ± 0.003 Å
• b: 12.862 ± 0.003 Å
• c: 23.706 ± 0.005 Å
• α: 90°
• β: 93.05 ± 0.03°
• γ: 90°
• Cell volume: 4286.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No