Information card for entry 7104226

Structure parameters

• Formula: C34 H27 Ir N2 O2
• Calculated formula: C34 H27 Ir N2 O2
• Title of publication: Reply to comment on 'aggregation-induced phosphorescent emission (AIPE) of iridium(III) complexes': origin of the enhanced phosphorescence.
• Authors of publication: Huang, Kewei; Wu, Huazhou; Shi, Mei; Li, Fuyou; Yi, Tao; Huang, Chunhui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1243 - 1245
• a: 10.983 ± 0.002 Å
• b: 14.347 ± 0.003 Å
• c: 17.691 ± 0.004 Å
• α: 73.15 ± 0.03°
• β: 89.88 ± 0.03°
• γ: 79.57 ± 0.03°
• Cell volume: 2620.1 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No