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Information card for entry 7052319
Preview
| Coordinates | 7052319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C91 H102 N6 O14 U2 |
|---|---|
| Calculated formula | C91 H102 N6 O14 U2 |
| SMILES | [U]12345(Oc6c7cc(cc6C=[N]4c4c([N]5=Cc5c(O1)c(cc(c5)C(C)(C)C)c1c5O[U]689([O]=C(C)C=C(O6)C)(OC(=CC(=[O]8)C)C)(OC(=CC(=[O]9)C)C)[n]6c(n(c8c6cccc8)Cc6c(O)c7cc(c6)C(C)(C)C)c5cc(c1)C(C)(C)C)cccc4)C(C)(C)C)(OC(=CC(=[O]2)C)C)[O]=C(C)C=C(O3)C.n1ccccc1.n1ccccc1 |
| Title of publication | Synthesis, structure and magnetic behaviour of dinuclear uranium(<small>IV</small>) complexes with a ‘calixsalophen’ type macrocycle |
| Authors of publication | Lionel Salmon; Pierre Thuéry; Eric Rivière; Shinpei Miyamoto; Takehiko Yamato; Michel Ephritikhine |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2006 |
| Journal volume | 30 |
| Journal issue | 8 |
| Pages of publication | 1220 |
| a | 15.5199 ± 0.0004 Å |
| b | 16.7753 ± 0.0006 Å |
| c | 18.1932 ± 0.0008 Å |
| α | 77.591 ± 0.002° |
| β | 81.494 ± 0.003° |
| γ | 68.004 ± 0.002° |
| Cell volume | 4277.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.0739 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7052319.cif |
| 180077 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/23. |
7052319.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052319.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052319.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7052319.cif |
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Users of the data should acknowledge the original authors of the
structural data.