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Information card for entry 7217663
Preview
| Coordinates | 7217663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B16 H14 Na6 O48 U |
|---|---|
| Calculated formula | B16 H14 Na6 O48 U |
| SMILES | [U]12345(=O)(=O)[O]6[B]78[O]4[B]4(OB(O[B]9([O]3[B]3([O]2[B]2(OB(O[B]%10(O[B]%11([O]1[B]6(OB(O%11)[O-])OB(O8)[O-])OB(O%10)[O-])[O]52)[O-])OB(O3)[O-])OB([O-])O9)O4)[O-])OB(O7)[O-].O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Kinetics vs. thermodynamics: a unique crystal transformation from a uranyl peroxo-nanocluster to a nanoclustered uranyl polyborate |
| Authors of publication | Zhang, Yingjie; Bhadbhade, Mohan; Price, Jason R.; Karatchevtseva, Inna; Collison, David; Lumpkin, Gregory R. |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 65 |
| Pages of publication | 34244 |
| a | 14.736 ± 0.003 Å |
| b | 11.765 ± 0.002 Å |
| c | 23.928 ± 0.005 Å |
| α | 90° |
| β | 105.91 ± 0.03° |
| γ | 90° |
| Cell volume | 3989.5 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.034 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.7293 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
7217663.cif |
| 180507 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/76. |
7217663.cif |
| 121807 | 2014-08-09 | cif/ Adding structures of 7217663 via cif-deposit CGI script. |
7217663.cif |
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Users of the data should acknowledge the original authors of the
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