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Information card for entry 4101776
Preview
| Coordinates | 4101776.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H78 K N2 O8 U |
|---|---|
| Calculated formula | C52 H78 K N2 O8 U |
| Title of publication | Synthesis, Structure, and Bonding of Stable Complexes of Pentavalent Uranyl |
| Authors of publication | Grégory Nocton; Pawel Horeglad; Valentina Vetere; Jacques Pécaut; Lionel Dubois; Pascale Maldivi; Norman M. Edelstein; Marinella Mazzanti |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 495 - 508 |
| a | 17.4608 ± 0.00019 Å |
| b | 21.55872 ± 0.00018 Å |
| c | 15.06929 ± 0.00015 Å |
| α | 90° |
| β | 112.941 ± 0.0012° |
| γ | 90° |
| Cell volume | 5223.9 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0444 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.0532 |
| Weighted residual factors for all reflections included in the refinement | 0.0551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.882 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4101776.cif |
| 178763 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/17. |
4101776.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4101776.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101776.cif |
| 24594 | 2011-09-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4101776 via cif-deposit CGI script. |
4101776.cif |
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Users of the data should acknowledge the original authors of the
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