Information card for entry 7127860

Structure parameters

• Common name: Shi_Ir2
• Formula: C44 H35 Cl10 F6 Ir N11 P
• Calculated formula: C44 H35 Cl10 F6 Ir N11 P
• SMILES: [Ir]123([n]4ccccc4c4[n]1ccc1c4[nH]c4ccccc14)([n]1cn(c4nc(Cl)nc(c14)c1ccccc21)C)[n]1cn(c2nc(Cl)nc(c4c3cccc4)c12)C.ClCCl.ClCCl.ClCCl.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Purine-based Ir(iii) complexes for sensing viscosity of endo-plasmic reticulum with fluorescence lifetime imaging microscopy.
• Authors of publication: Liu, Xin; Li, Kun; Shi, Lei; Zhang, Hong; Liu, Yan-Hong; Wang, Hao-Yuan; Wang, Nan; Yu, Xiao-Qi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 18
• Pages of publication: 2265 - 2268
• a: 12.614 ± 0.002 Å
• b: 27.595 ± 0.004 Å
• c: 15.86 ± 0.005 Å
• α: 90°
• β: 113.041 ± 0.013°
• γ: 90°
• Cell volume: 5080 ± 2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No