Information card for entry 4514082

Structure parameters

• Formula: C26 H22 F6 Ir N6 P S2
• Calculated formula: C26 H22 F6 Ir N6 P S2
• SMILES: [Ir]123([n]4c(c5[n]3ccn5C)n(cc4)C)([n]3c(cccc3)c3sccc23)[n]2c(c3sccc13)cccc2.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Light-Up Mitophagy in Live Cells with Dual-Functional Theranostic Phosphorescent Iridium(III) Complexes.
• Authors of publication: Chen, Mu-He; Wang, Fang-Xin; Cao, Jian-Jun; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 15
• Pages of publication: 13304 - 13314
• a: 10.9606 ± 0.0007 Å
• b: 15.2789 ± 0.0012 Å
• c: 34.871 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5839.7 ± 0.7 ų
• Cell temperature: 285.94 ± 0.1 K
• Ambient diffraction temperature: 285.94 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0304
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No