Information card for entry 7112693

Structure parameters

• Formula: C53 H39 Cl3 F4 Ir N9 O4
• Calculated formula: C53 H37 Cl3 F4 Ir N9 O4
• SMILES: [Ir]123([n]4c(cccc4)c4c1cc(F)cc4F)([n]1c(cccc1)c1c2cc(F)cc1F)[n]1c(cccc1)c1[n]3n(cc1)Cc1ccc(cc1)c1ccc(cc1)Cn1nc(cc1)c1ncccc1.C(Cl)(Cl)Cl.N(=O)(=O)[O-].O
• Title of publication: Visible-light sensitisation of Tb(III) luminescence using a blue-emitting Ir(III) complex as energy-donor.
• Authors of publication: Sykes, Daniel; Ward, Michael D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2279 - 2281
• a: 19.1604 ± 0.0007 Å
• b: 12.245 ± 0.0004 Å
• c: 23.0661 ± 0.0009 Å
• α: 90°
• β: 113.843 ± 0.002°
• γ: 90°
• Cell volume: 4949.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0962
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No