Information card for entry 7104227

Structure parameters

• Formula: C30 H23 Ir N2 O2
• Calculated formula: C30 H23 Ir N2 O2
• SMILES: [Ir]123(Oc4ccccc4C(=[O]1)C)([n]1ccccc1c1ccccc21)[n]1ccccc1c1ccccc31
• 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: 11.231 ± 0.002 Å
• b: 9.5236 ± 0.0019 Å
• c: 21.799 ± 0.004 Å
• α: 90°
• β: 95.32 ± 0.03°
• γ: 90°
• Cell volume: 2321.7 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No