Information card for entry 1550538

Structure parameters

• Formula: C30 H23 F6 Ir N5 P
• Calculated formula: C30 H23 F6 Ir N5 P
• SMILES: [Ir]123(c4c(cccc4)c4[n]2cccc4)([n]2c(c4[n]3cc[nH]4)cccc2)[n]2ccccc2c2c1cccc2.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Inhibition of Autophagic Flux by Cyclometalated Iridium(III) Complexes through Anion Transportation
• Authors of publication: Chen, Mu-He; Zheng, Yue; Cai, Xiong-Jie; zhang, hang; Wang, Fang-Xin; Tan, Caiping; Chen, Wen-Hua; Ji, Liangnian; Mao, Zong-Wan
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.9356 ± 0.0003 Å
• b: 15.8786 ± 0.0004 Å
• c: 33.0214 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5733.9 ± 0.3 ų
• Cell temperature: 292 ± 1 K
• Ambient diffraction temperature: 292 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No