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Information card for entry 1540030
Preview
| Coordinates | 1540030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H58 Dy2 N14 O24 |
|---|---|
| Calculated formula | C46 H58 Dy2 N14 O24 |
| SMILES | [Dy]123456([O]=C(N[N]6=Cc6c7[O]3[Dy]389%10([O](c7ccc6)C)([O]4c4c(cccc4[O]2C)C=[N]%10NC(=[O]3)N/N=C/c2c(O)c(OC)ccc2)([O]=N(=O)O8)ON(=[O]9)=O)N/N=C/c2c(O)c(OC)ccc2)([O]=N(O5)=O)ON(=[O]1)=O.O1CCCC1.O1CCCC1.N#CC.N#CC |
| Title of publication | Slight synthetic changes eliciting different topologies: synthesis, structure and magnetic properties of novel dinuclear and nonanuclear dysprosium complexes. |
| Authors of publication | Kuo, Che-Jung; Holmberg, Rebecca J.; Lin, Po-Heng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 46 |
| Pages of publication | 19758 - 19762 |
| a | 9.931 ± 0.0004 Å |
| b | 10.841 ± 0.0004 Å |
| c | 14.4817 ± 0.0006 Å |
| α | 82.775 ± 0.003° |
| β | 71.167 ± 0.004° |
| γ | 74.627 ± 0.003° |
| Cell volume | 1421.48 ± 0.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1540030.cif |
| 171128 | 2015-12-09 | cif/ Updating files of 1540030, 1540031 Original log message: Adding full bibliography for 1540030--1540031.cif. |
1540030.cif |
| 169166 | 2015-10-15 | cif/ Adding structures of 1540030, 1540031 via cif-deposit CGI script. |
1540030.cif |
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Users of the data should acknowledge the original authors of the
structural data.