Information card for entry 7234730

Structure parameters

• Formula: C47 H35 Ir N6 O4
• Calculated formula: C47 H35 Ir N6 O4
• Title of publication: A facile color-tuning strategy for constructing a library of Ir(iii) complexes with fine-tuned phosphorescence from bluish green to red using a synergetic substituent effect of -OCH3 and -CN at only the C-ring of C/Ν ligand
• Authors of publication: Yan Jiao; Ming Li; Ning Wang; Tao Lu; Liang Zhou; Yan Huang; Zhiyun Lu; Daibing Luo; Xuemei Pu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 4269 - 4277
• a: 13.1742 ± 0.0003 Å
• b: 13.1742 ± 0.0003 Å
• c: 28.3375 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4918.2 ± 0.2 ų
• Cell temperature: 143.05 ± 0.1 K
• Ambient diffraction temperature: 143.05 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No