Information card for entry 7233143

Structure parameters

• Formula: C30 H26 F10 Ir N8 P
• Calculated formula: C30 H26 F10 Ir N8 P
• SMILES: c12cc(cc(c1n1ccc[n]1[Ir]132(c2cc(cc(c2n2ccc[n]12)F)F)[n]1ccccc1c1[n]3c(C)nn1CCCC)F)F.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Controllable synthesis of iridium(III)-based aggregation-induced emission and/or piezochromic luminescence phosphors by simply adjusting the substitution on ancillary ligands
• Authors of publication: Guo-Gang Shan; Hai-Bin Li; Hai-Zhu Sun; Dong-Xia Zhu; Hong-Tao Cao; Zhong-Min Su
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 1440 - 1449
• a: 9.795 ± 0.005 Å
• b: 9.798 ± 0.005 Å
• c: 19.81 ± 0.005 Å
• α: 95.148 ± 0.005°
• β: 97.711 ± 0.005°
• γ: 118.407 ± 0.005°
• Cell volume: 1631.2 ± 1.3 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: 0.1082
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.2611
• Weighted residual factors for all reflections included in the refinement: 0.2662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No