Information card for entry 7110044

Structure parameters

• Formula: C39 H24 Cl2 F6 Ir N6 O0 P S2 Se
• Calculated formula: C39 H24 Cl2 F6 Ir N6 P S2 Se
• SMILES: [Ir]123([n]4cccc5c6n[se]nc6c6c([n]1ccc6)c45)([n]1ccccc1c1sc4c(c21)cccc4)[n]1ccccc1c1sc2c(c31)cccc2.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Mitochondria-specific phosphorescent imaging and tracking in living cells with an AIPE-active iridium(III) complex
• Authors of publication: Yu Chen; Liping Qiao; Bole Yu; Guanying Li; Liangnian Ji; Hui Chao
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11095
• a: 9.1798 ± 0.0003 Å
• b: 12.2585 ± 0.0003 Å
• c: 17.5678 ± 0.0006 Å
• α: 74.243 ± 0.003°
• β: 81.025 ± 0.003°
• γ: 85.881 ± 0.002°
• Cell volume: 1878.43 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No