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Information card for entry 7039941
Preview
| Coordinates | 7039941.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C73 H86 N7 O31 Tb5 |
|---|---|
| Calculated formula | C73 H86 N7 O31 Tb5 |
| SMILES | [Tb]1234567[O]8[Tb]9%10%11%12%13%14[OH]%15[Tb]%16%17%18%19%20([OH]9[Tb]9%21([OH]%16[Tb]%16%22%15([OH]%109)([O]=C(O%13)c9ccccc9)(OC(=[O]%19)c9ccccc9)(ON(=[O]%16)=O)[O]=N(=O)O%22)([O]=C(O%20)c9ccccc9)(OC(=[O]%14)c9ccccc9)([OH2])[O]=N(=O)O%21)[O]1c1c(cc(C)cc1[O]%17C)C[N]14CC[N]5(Cc4c8c(OC)cc(C)c4)CC[N]6(CC[N]7(CC1)Cc1c([O]2%18)c(OC)cc(c1)C)Cc1c([O]3%11)c([O]%12C)cc(C)c1.OC |
| Title of publication | Goblet-shaped pentanuclear lanthanide clusters assembled with a cyclen derivative ligand exhibiting slow magnetic relaxation. |
| Authors of publication | Wang, Gaoji; Wei, Yongqin; Wu, Kechen |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 32 |
| Pages of publication | 12734 - 12738 |
| a | 13.9326 ± 0.0017 Å |
| b | 23.424 ± 0.003 Å |
| c | 25.009 ± 0.003 Å |
| α | 90° |
| β | 98.824 ± 0.002° |
| γ | 90° |
| Cell volume | 8065.3 ± 1.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0328 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039941.cif |
| 186436 | 2016-09-10 | cif/ Updating files of 7039941, 7039942 Original log message: Adding full bibliography for 7039941--7039942.cif. |
7039941.cif |
| 184544 | 2016-07-20 | cif/ Adding structures of 7039941, 7039942 via cif-deposit CGI script. |
7039941.cif |
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Users of the data should acknowledge the original authors of the
structural data.