Information card for entry 7030051

Structure parameters

• Formula: C44 H34 Cl6 F4 Ir N9 O3
• Calculated formula: C44 H34 Cl6 F4 Ir N9 O3
• SMILES: [Ir]123([n]4c(cccc4)c4[n]1n(cc4)CCCCn1nc(c4ncccc4)cc1)([n]1c(cccc1)c1c2cc(cc1F)F)[n]1c(cccc1)c1c3cc(cc1F)F.O=N(=O)[O-].ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Sensitisation of Eu(iii)- and Tb(iii)-based luminescence by Ir(iii) units in Ir/lanthanide dyads: evidence for parallel energy-transfer and electron-transfer based mechanisms.
• Authors of publication: Sykes, Daniel; Cankut, Ahmet J.; Ali, Noorshida Mohd; Stephenson, Andrew; Spall, Steven J. P.; Parker, Simon C.; Weinstein, Julia A.; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6414 - 6428
• a: 11.5743 ± 0.0003 Å
• b: 24.4342 ± 0.0007 Å
• c: 16.6139 ± 0.0005 Å
• α: 90°
• β: 101.889 ± 0.002°
• γ: 90°
• Cell volume: 4597.8 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No