Information card for entry 4325841

Structure parameters

• Formula: C31 H22 F3 Ir N4 O3 S3
• Calculated formula: C31 H22 F3 Ir N4 O3 S3
• SMILES: [Ir]12(c3ccccc3c3sc4c(cccc4)[n]13)(c1ccccc1c1sc3c(cccc3)[n]21)([N]#CC)[N]#CC.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Ratiometric Phosphorescence Imaging of Hg(II) in Living Cells Based on a Neutral Iridium(III) Complex
• Authors of publication: Yongquan Wu; Hao Jing; Zesheng Dong; Qiang Zhao; Huazhou Wu; Fuyou Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7412 - 7420
• a: 13.054 ± 0.003 Å
• b: 13.683 ± 0.003 Å
• c: 17.743 ± 0.004 Å
• α: 90°
• β: 91.47 ± 0.03°
• γ: 90°
• Cell volume: 3168.2 ± 1.2 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: 0.0569
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No