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Information card for entry 4334670
Preview
| Coordinates | 4334670.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H26 N7 O12 Tb |
|---|---|
| Calculated formula | C19 H26 N7 O12 Tb |
| SMILES | c1cccc2C=[N]3CC[O]4CC[O]5CC[N]6=Cc7cccc[n]7[Tb]783456([n]12)(ON(=[O]7)=O)ON(=[O]8)=O.CO.N(=O)(=O)[O-] |
| Title of publication | Subcomponent Self-Assembly of Rare-Earth Single-Molecule Magnets |
| Authors of publication | Victoria E. Campbell; Régis Guillot; Eric Riviere; Pierre-Thomas Brun; Wolfgang Wernsdorfer; Talal Mallah |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 5194 - 5200 |
| a | 15.9678 ± 0.0004 Å |
| b | 8.0138 ± 0.0002 Å |
| c | 21.4325 ± 0.0005 Å |
| α | 90° |
| β | 109.75 ± 0.001° |
| γ | 90° |
| Cell volume | 2581.23 ± 0.11 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.0285 |
| Residual factor for significantly intense reflections | 0.0232 |
| Weighted residual factors for significantly intense reflections | 0.0516 |
| Weighted residual factors for all reflections included in the refinement | 0.0565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4334670.cif |
| 179449 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/46. |
4334670.cif |
| 100540 | 2014-02-06 | cif/ Adding structures of 4334670 via cif-deposit CGI script. |
4334670.cif |
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Users of the data should acknowledge the original authors of the
structural data.