Information card for entry 7707476

Structure parameters

• Formula: C134 H109 B2 Cl2 F4 Ir2 N16 O5.5
• Calculated formula: C134 H115 B2 Cl2 F4 Ir2 N16 O4.5
• Title of publication: A mitochondria-targeted BODIPY-Ir(III) conjugate as a photoinduced ROS generator for the oxidative destruction of triple-negative breast cancer cells
• Authors of publication: Qiao, Liping; Liu, Jiangping; Kuang, Shi; Liao, Xinxing; Kou, Junfeng; Ji, Liangnian; Chao, Hui
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 17.6837 ± 0.0015 Å
• b: 18.1876 ± 0.0018 Å
• c: 20.173 ± 0.002 Å
• α: 93.911 ± 0.005°
• β: 92.383 ± 0.005°
• γ: 104.711 ± 0.004°
• Cell volume: 6249.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1937
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2371
• Weighted residual factors for all reflections included in the refinement: 0.2726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No