Information card for entry 7102871

Structure parameters

• Formula: C37.5 H27 Cl Ir N2 O2
• Calculated formula: C37.5 H27 Cl Ir N2 O2
• Title of publication: Aggregation-induced phosphorescent emission (AIPE) of iridium(III) complexes
• Authors of publication: Zhao, Qiang; Li, Lei; Li, Fuyou; Yu, Mengxiao; Liu, Zhipan; Yi, Tao; Huang, Chunhui
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 6
• Pages of publication: 685 - 687
• a: 10.877 ± 0.005 Å
• b: 11.769 ± 0.005 Å
• c: 12.418 ± 0.006 Å
• α: 92.106 ± 0.005°
• β: 94.577 ± 0.006°
• γ: 104.907 ± 0.005°
• Cell volume: 1528.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No