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Information card for entry 8101574
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| Coordinates | 8101574.cif |
|---|
| Formula | C48 H84 N6 O20 P2 U2 |
|---|---|
| Calculated formula | C48 N6 O20 P2 U2 |
| SMILES | [U]123(=O)(=O)([O]=P(c4ccccc4)(CCCCCCCC)CC(=[O]1)N(CC(C)C)CC(C)C)([O]=N(=O)O2)[O]=N(=O)O3 |
| Title of publication | Crystal structure of octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine dioxouranium nitrate, C~48~H~84~N~6~O~20~P~2~U~2~ |
| Authors of publication | Cherfa, Samy; Pecaut, Jacques; Nierlich, Martine |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 4 |
| Pages of publication | 523 - 525 |
| a | 19.7821 ± 0.0003 Å |
| b | 10.6352 ± 0.0002 Å |
| c | 31.4217 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6610.7 ± 0.2 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.148 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8101574.cif |
| 102695 | 2014-02-22 | cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101574.cif |
| 100412 | 2014-02-06 | cif/8/10/ (antanas@lokys.ibt.lt) Adding volume number. |
8101574.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101574.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
8101574.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
8101574.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101574.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
8101574.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
8101574.cif |
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Users of the data should acknowledge the original authors of the
structural data.