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Information card for entry 7128789
Preview
| Coordinates | 7128789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C153 H138 Cl15 Eu3 N12 O18 |
|---|---|
| Calculated formula | C153 H138 Cl15 Eu3 N12 O18 |
| SMILES | [Eu]1234567[N](=Cc8c(c(CN(Cc9c(c(cc(c9)Cl)C=[O]4)O2)CCc2ccccc2)cc(c8)Cl)[OH]3)CCC[N]2=Cc3c4c(cc(c3)Cl)CN(Cc3c8c(cc(c3)Cl)C=[O][Eu]39%102([N](=Cc2c(c(CN(Cc%11c(c(C=[O]9)cc(c%11)Cl)[OH]%10)CCc9ccccc9)cc(c2)Cl)O3)CCC[N]2=Cc3c9c(cc(c3)Cl)CN(Cc3c%10c(cc(c3)Cl)C=[O][Eu]3%11%122([N](=Cc2c(c(cc(c2)Cl)CN(Cc2c(c(cc(c2)Cl)C=[O]3)O%11)CCc2ccccc2)O%12)CCC[N]1=Cc1c(c(cc(c1)Cl)CN(Cc1c(c(cc(c1)Cl)C=[O]7)O5)CCc1ccccc1)[OH]6)([OH]9)[OH]%10)CCc1ccccc1)(O4)[OH]8)CCc1ccccc1.[Cl-].[Cl-].[Cl-] |
| Title of publication | Self-assembly and luminescence of trinuclear lanthanide based supramolecular circular helicates. |
| Authors of publication | Chang, Fei-Fan; Feng, Fan-da; Geng, Jiao; Huang, Wei |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 73 |
| Pages of publication | 9220 - 9223 |
| a | 18.1315 ± 0.0007 Å |
| b | 21.8847 ± 0.0008 Å |
| c | 25.2702 ± 0.001 Å |
| α | 95.683 ± 0.001° |
| β | 101.87 ± 0.001° |
| γ | 101.275 ± 0.001° |
| Cell volume | 9521.7 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0891 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1698 |
| Weighted residual factors for all reflections included in the refinement | 0.1811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269605 (current) | 2021-10-06 | cif/ Updating files of 7128789, 7128790, 7128791 Original log message: Adding full bibliography for 7128789--7128791.cif. |
7128789.cif |
| 268030 | 2021-08-12 | cif/ Adding structures of 7128789, 7128790, 7128791 via cif-deposit CGI script. |
7128789.cif |
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Users of the data should acknowledge the original authors of the
structural data.