Information card for entry 7045831

Structure parameters

• Formula: C101 H134 Eu4 F3 N16 Na O44 S
• Calculated formula: C101 H134 Eu4 F3 N16 Na O44 S
• SMILES: S(=O)(O[Na]12([OH2])[O]3[Eu]456789([N]%10(CC[N]4(CC[N]5(CC[N]6(CC%10)Cc4cc(=O)oc5c4ccc(c5)OC)CC(=O)O8)CC(=[O][Eu]4568%10%11([N]%12(CC[N]4(CC[N]5(CC[N]6(CC%12)Cc4cc(=O)oc5c4ccc(c5)OC)CC(=O)O%11)CC(=[O]2)O%10)CC(=[O][Eu]2456%10%11([N]%12(CC[N]6(CC(=O)O2)CC[N]%10(CC(=[O][Eu]26%10%13%14%15([N]%16(CC[N]%13(Cc%13cc(=O)oc%17cc(OC)ccc%13%17)CC[N]%14(CC(=O)O%10)CC[N]%15(CC(=O)O6)CC%16)CC(=[O]9)O2)[OH2])O4)CC[N]%11(CC(=O)O5)CC%12)Cc2cc(=O)oc4c2ccc(c4)OC)[OH2])O8)[OH2])O7)CC3=[O]1)[OH2])(C(F)(F)F)=O
• Title of publication: Shining light on the antenna chromophore in lanthanide based dyes.
• Authors of publication: Junker, Anne Kathrine R.; Hill, Leila R.; Thompson, Amber L.; Faulkner, Stephen; Sørensen, Thomas Just
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 4794 - 4803
• a: 17.9227 ± 0.0007 Å
• b: 32.942 ± 0.0009 Å
• c: 47.9786 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28327 ± 1.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P c a n
• Hall space group symbol: -P 2n 2c
• Residual factor for all reflections: 0.1953
• Residual factor for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections: 0.469
• Weighted residual factors for significantly intense reflections: 0.4583
• Weighted residual factors for all reflections included in the refinement: 0.4689
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9996
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No