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Information card for entry 4328417
Preview
| Coordinates | 4328417.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H30 F6 N6 O5 P Yb |
|---|---|
| Calculated formula | C22 H30 F6 N6 O5 P Yb |
| Title of publication | Lanthanide(III) Complexes with Ligands Derived from a Cyclen Framework Containing Pyridinecarboxylate Pendants. The Effect of Steric Hindrance on the Hydration Number |
| Authors of publication | Aurora Rodríguez-Rodríguez; David Esteban-Gómez; Andrés de Blas; Teresa Rodríguez-Blas; Marianna Fekete; Mauro Botta; Raphaël Tripier; Carlos Platas-Iglesias |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 2509 - 2521 |
| a | 9.5249 ± 0.0003 Å |
| b | 13.4108 ± 0.0005 Å |
| c | 20.503 ± 0.0007 Å |
| α | 90° |
| β | 96.225 ± 0.002° |
| γ | 90° |
| Cell volume | 2603.54 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0355 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.08 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.249 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4328417.cif |
| 179387 | 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 4/32/84. |
4328417.cif |
| 77383 | 2013-03-26 | cif/ Adding structures of 4328417 via cif-deposit CGI script. |
4328417.cif |
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Users of the data should acknowledge the original authors of the
structural data.