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Information card for entry 7045831
Preview
| Coordinates | 7045831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229763 (current) | 2019-11-17 | cif/ Updating files of 7045829, 7045830, 7045831 Original log message: Adding full bibliography for 7045829--7045831.cif. |
7045831.cif |
| 206881 | 2018-03-10 | cif/ Adding structures of 7045829, 7045830, 7045831 via cif-deposit CGI script. |
7045831.cif |
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Users of the data should acknowledge the original authors of the
structural data.