Information card for entry 7236691

Structure parameters

• Formula: C48 H33 F6 Ir N5 P
• Calculated formula: C48 H33 F6 Ir N5 P
• Title of publication: Two-photon photodynamic ablation of tumor cells by mitochondria-targeted iridium(iii) complexes in aggregate states
• Authors of publication: Qiu, Kangqiang; Ouyang, Miao; Liu, Yukang; Huang, Huaiyi; Liu, Chaofeng; Chen, Yu; Ji, Liangnian; Chao, Hui
• Journal of publication: Journal of Materials Chemistry B
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 27
• Pages of publication: 5488
• a: 9.6803 ± 0.0005 Å
• b: 10.024 ± 0.0005 Å
• c: 22.948 ± 0.0013 Å
• α: 90.034 ± 0.002°
• β: 100.758 ± 0.002°
• γ: 101.52 ± 0.002°
• Cell volume: 2141.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No