Information card for entry 7124533

Structure parameters

• Formula: C44.5 H43 F6 Ir N11 P
• Calculated formula: C44.5 H43 F6 Ir N11 P
• Title of publication: Reversible tricolour luminescence switching based on a piezochromic iridium(iii) complex
• Authors of publication: Yang, Tianzhi; Wang, Yue; Liu, Xingman; Li, Guangfu; Che, Weilong; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 20.025 ± 0.007 Å
• b: 12.326 ± 0.004 Å
• c: 20.303 ± 0.006 Å
• α: 90°
• β: 101.211 ± 0.018°
• γ: 90°
• Cell volume: 4916 ± 3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.14 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: 0.1112
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No