Information card for entry 7713761

Structure parameters

• Formula: C55 H42 Cl6 F6 Ir N4 O2 P S2
• Calculated formula: C55 H42 Cl6 F6 Ir N4 O2 P S2
• Title of publication: Two near-infrared phosphorescent iridium(III) complexes for detection of GSH and photodynamic therapy
• Authors of publication: Tu, Rui; Liu, Jie; Chen, Weibin; Fu, Fengfu; Li, Mei-Jin
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.3845 ± 0.0009 Å
• b: 36.264 ± 0.003 Å
• c: 13.5902 ± 0.0009 Å
• α: 90°
• β: 114.576 ± 0.002°
• γ: 90°
• Cell volume: 5998.8 ± 0.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 9
• 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: 0.0946
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No