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Information card for entry 4326416
Preview
| Coordinates | 4326416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H30 Dy2 N8 O16 |
|---|---|
| Calculated formula | C28 H30 Dy2 N8 O16 |
| SMILES | c12cccc[n]2[Dy]2345([O]6C1=N[N]1=Cc7c(O[Dy]8961(ON(=[O]9)=O)([OH2])[n]1c(cccc1)C(=N[N]3=Cc1c(O5)c(OC)ccc1)[O]48)c(OC)ccc7)(ON(=[O]2)=O)[OH2].O.O |
| Title of publication | Modulating Magnetic Dynamics of Three Dy2 Complexes through Keto-Enol Tautomerism of the o-Vanillin Picolinoylhydrazone Ligand |
| Authors of publication | Yun-Nan Guo; Xiao-Hua Chen; Shufang Xue; Jinkui Tang |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 9705 - 9713 |
| a | 9.3234 ± 0.0008 Å |
| b | 9.4773 ± 0.0009 Å |
| c | 11.4313 ± 0.001 Å |
| α | 69.114 ± 0.001° |
| β | 83.773 ± 0.002° |
| γ | 66.613 ± 0.001° |
| Cell volume | 865.53 ± 0.13 Å3 |
| Cell temperature | 191 ± 2 K |
| Ambient diffraction temperature | 191 ± 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 | 0.0487 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0861 |
| Weighted residual factors for all reflections included in the refinement | 0.0917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4326416.cif |
| 179367 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/64. |
4326416.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4326416.cif |
| 48587 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4326416 via cif-deposit CGI script. |
4326416.cif |
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