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Information card for entry 4311411
Preview
| Coordinates | 4311411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H26 N10 |
|---|---|
| Calculated formula | C23 H26 N10 |
| SMILES | N(Cc1nccnc1)(Cc1nccnc1)CCCN(Cc1nccnc1)Cc1nccnc1 |
| Title of publication | Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands |
| Authors of publication | Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 5147 - 5158 |
| a | 9.3452 ± 0.0007 Å |
| b | 12.7195 ± 0.0009 Å |
| c | 19.6942 ± 0.0014 Å |
| α | 99.973 ± 0.001° |
| β | 98.952 ± 0.001° |
| γ | 91.91 ± 0.001° |
| Cell volume | 2273.1 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1038 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1479 |
| Weighted residual factors for all reflections included in the refinement | 0.1615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4311411.cif |
| 179153 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/14. |
4311411.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311411.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311411.cif |
| 2910 | 2010-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4311411 via cif-deposit CGI script. |
4311411.cif |
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Users of the data should acknowledge the original authors of the
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