Information card for entry 1529259

Structure parameters

• Formula: C44 H36 F10 Ir N6 O2 P
• Calculated formula: C44 H36 F10 Ir N6 O2 P
• SMILES: [Ir]123([n]4c(c5c2cc(F)cc5F)cccc4)([n]2c(c4c3cc(F)cc4F)cccc2)[n]2c3ccccc3[nH]c2c2[n]1ccc1c2[nH]c2c1cccc2.[P](F)(F)(F)(F)(F)[F-].OCC.OCC
• Title of publication: Cyclometalated iridium(iii) complexes as lysosome-targeted photodynamic anticancer and real-time tracking agents
• Authors of publication: He, Liang; Li, Yi; Tan, Cai-Ping; Ye, Rui-Rong; Chen, Mu-He; Cao, Jian-Jun; Ji, Liang-Nian; Mao, Zong-Wan
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5409
• a: 8.5758 ± 0.0012 Å
• b: 14.436 ± 0.002 Å
• c: 17.199 ± 0.003 Å
• α: 79.43 ± 0.004°
• β: 89.672 ± 0.004°
• γ: 84.686 ± 0.005°
• Cell volume: 2084 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No