Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8101198
Preview
| Coordinates | 8101198.cif |
|---|---|
| External links | PubChem |
| Formula | C16 H22 Cu N6 O8 |
|---|---|
| Calculated formula | C16 H22 Cu N6 O8 |
| SMILES | [Cu]12(NC3N(C(=O)N(C)C(=O)C=3C=[N]2NC(=[O]1)c1ccccc1)C)([OH]CC)[OH2].O=N(=O)[O-] |
| Title of publication | Crystal structure of aqua-ethanol-O-(6-amino-5-formyl-1,3-dimethyluracilato- benzoylhydrazone-N,N',O) copper(II) nitrate, C~16~H~22~CuN~6~O~8~ |
| Authors of publication | Hueso-Ureña, Francisco; Moreno-Carretero, Miguel N.; Peñas-Chamorro, Antonio L.; Debaerdemaeker, Tony; Esteve, Vicente; Amigó, José M. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2000 |
| Journal volume | 215 |
| Journal issue | 1 |
| Pages of publication | 155 - 156 |
| a | 7.6063 ± 0.0012 Å |
| b | 11.2078 ± 0.0017 Å |
| c | 12.4564 ± 0.0019 Å |
| α | 92.058 ± 0.016° |
| β | 102.435 ± 0.016° |
| γ | 104.23 ± 0.016° |
| Cell volume | 1000.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101198.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8101198.cif |
| 102815 | 2014-02-23 | cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101198.cif |
| 100616 | 2014-02-06 | cif/8/10/ (antanas@lokys.ibt.lt) Adding volume number. |
8101198.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101198.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
8101198.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. |
8101198.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/' |
8101198.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101198.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. |
8101198.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) |
8101198.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.