Information card for entry 1550330

Structure parameters

• Formula: C50 H38 F6 Ir N2 O2 P3
• Calculated formula: C50 H38 F6 Ir N2 O2 P3
• SMILES: [Ir]123([P](C=C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([n]1c(cccc1)c1c2cc(cc1)C=O)[n]1ccccc1c1c3cc(cc1)C=O.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Monitor Mitochondrial Viscosity with Anticancer Phosphorescent Ir(III) Complexes via Two-Photon Lifetime Imaging
• Authors of publication: Hao, Liang; Li, Zhi-Wei; Zhang, Dong-Yang; He, Liang; Liu, Wen-Ting; Jing, Yang; Tan, Caiping; Ji, Liang-Nian; Mao, Zong-Wan
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 17.4083 ± 0.0005 Å
• b: 13.0416 ± 0.0003 Å
• c: 20.5524 ± 0.0005 Å
• α: 90°
• β: 108.427 ± 0.003°
• γ: 90°
• Cell volume: 4426.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.052
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No