Information card for entry 7114578

Structure parameters

• Formula: C68 H50 F12 Ir2 N8 P2
• Calculated formula: C68 H50 Ir2 N8
• SMILES: c1(ccc(cc1)c1ccc(cc1)[N]1=Cc2cccc[n]2[Ir]231([n]1c(c4c2cccc4)cccc1)[n]1c(c2c3cccc2)cccc1)[N]1=Cc2cccc[n]2[Ir]231([n]1c(c4c2cccc4)cccc1)[n]1c(c2c3cccc2)cccc1
• Title of publication: New ionic dinuclear Ir(III) Schiff base complexes with aggregation-induced phosphorescent emission (AIPE)
• Authors of publication: Guangfu Li; Yong Wu; Guogang Shan; Weilong Che; Dongxia Zhu; Baiqiao Song; Likai Yan; Zhongmin Su; Martin R. Bryce
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6977
• a: 8.8497 ± 0.0018 Å
• b: 29.644 ± 0.006 Å
• c: 13.885 ± 0.003 Å
• α: 90°
• β: 91.47 ± 0.03°
• γ: 90°
• Cell volume: 3641.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No