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Information card for entry 4334175
Preview
| Coordinates | 4334175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H51 Er N6 O15 P2 |
|---|---|
| Calculated formula | C44 H51 Er N6 O15 P2 |
| SMILES | [Er]12345([O]=n6c(cccc6[C@H](P(=[O]1)(c1ccccc1)c1ccccc1)C(=O)N(CC)CC)[C@@H](P(=[O]2)(c1ccccc1)c1ccccc1)C(=O)N(CC)CC)([O]=N(=O)O3)([O]=N(=O)O4)ON(=[O]5)=O.O=C(C)C |
| Title of publication | Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms |
| Authors of publication | Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 3063 - 3083 |
| a | 14.1511 ± 0.0004 Å |
| b | 20.7534 ± 0.0005 Å |
| c | 17.7301 ± 0.0004 Å |
| α | 90° |
| β | 111.823 ± 0.001° |
| γ | 90° |
| Cell volume | 4833.9 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0497 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0653 |
| Weighted residual factors for all reflections included in the refinement | 0.0716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
4334175.cif |
| 179444 | 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 4/33/41. |
4334175.cif |
| 99989 | 2014-02-04 | cif/ Adding structures of 4334175 via cif-deposit CGI script. |
4334175.cif |
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Users of the data should acknowledge the original authors of the
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