Information card for entry 1515918

Structure parameters

• Formula: C50 H34 Cl4 F4 Ir N7 O3
• Calculated formula: C50 H34 Cl4 F4 Ir N7 O3
• SMILES: [Ir]123([n]4c(cccc4)c4[n]1ccc(c4)c1ccc(cc1)c1cc(ncc1)c1ncccc1)([n]1c(cccc1)c1c2cc(cc1F)F)[n]1c(cccc1)c1c3cc(cc1F)F.O=N(=O)[O-].ClCCl.ClCCl
• Title of publication: Iridium(III) luminophores as energy donors for sensitised emission from lanthanides in the visible and near-infrared regions.
• Authors of publication: Tart, Nicholas M.; Sykes, Daniel; Sazanovich, Igor; Tidmarsh, Ian S.; Ward, Michael D.
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2010
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 886 - 889
• a: 10.5366 ± 0.0004 Å
• b: 12.5473 ± 0.0005 Å
• c: 17.9886 ± 0.001 Å
• α: 103.206 ± 0.002°
• β: 94.101 ± 0.004°
• γ: 95.199 ± 0.003°
• Cell volume: 2295.33 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1019
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No