Information card for entry 7200401

Structure parameters

• Formula: C43 H31 Cl4 Ir N2 O4
• Calculated formula: C43 H31 Cl4 Ir N2 O4
• SMILES: c12cc3c4ccccc4C(=O)c3cc1c1cccc[n]1[Ir]132(c2cc4c5ccccc5C(=O)c4cc2c2cccc[n]12)[O]=C(C)C=C(C)O3.C(Cl)Cl.C(Cl)Cl
• Title of publication: A versatile color tuning strategy for iridium(III) and platinum(II) electrophosphors by shifting the charge-transfer states with an electron-deficient core
• Authors of publication: Zhou, Gui-Jiang; Wang, Qi; Wong, Wai-Yeung; Ma, Dongge; Wang, Lixiang; Lin, Zhenyang
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 1872
• a: 12.2247 ± 0.0018 Å
• b: 13.728 ± 0.002 Å
• c: 13.838 ± 0.002 Å
• α: 63.248 ± 0.002°
• β: 74.128 ± 0.002°
• γ: 74.473 ± 0.003°
• Cell volume: 1966.2 ± 0.5 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: 0.0498
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No