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Information card for entry 4340924
Preview
| Coordinates | 4340924.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H38 N3 O8.5 Tb |
|---|---|
| Calculated formula | C27 H38 N3 O8.5 Tb |
| SMILES | N12O[Tb]345([n]6c(C2=N(=O)C(C1(C)C)(C)C)cccc6)(OC(=CC(=[O]3)C)C)(OC(=CC(C)=[O]4)C)OC(=CC(C)=[O]5)C.O |
| Title of publication | Terbium(III) and yttrium(III) complexes with pyridine-substituted nitronyl nitroxide radical and different β-diketonate ligands. Crystal structures and magnetic and luminescence properties. |
| Authors of publication | Lannes, Anthony; Intissar, Mourad; Suffren, Yan; Reber, Christian; Luneau, Dominique |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 18 |
| Pages of publication | 9548 - 9560 |
| a | 27.5929 ± 0.0007 Å |
| b | 14.5138 ± 0.0003 Å |
| c | 19.357 ± 0.0006 Å |
| α | 90° |
| β | 114.947 ± 0.003° |
| γ | 90° |
| Cell volume | 7028.8 ± 0.4 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for all reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.0429 |
| Weighted residual factors for all reflections included in the refinement | 0.041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0608 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4340924.cif |
| 270822 | 2021-11-23 | cif/4: Fixing Z values and formulae |
4340924.cif |
| 179512 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/09. |
4340924.cif |
| 126873 | 2014-11-11 | cif/ Updating files of 4340923, 4340924, 4340925, 4340926, 4340927 Original log message: Adding full bibliography for 4340923--4340927.cif. |
4340924.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4340924.cif |
| 122449 | 2014-08-23 | cif/ Adding structures of 4340924 via cif-deposit CGI script. |
4340924.cif |
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Users of the data should acknowledge the original authors of the
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