Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8100006
Preview
| Coordinates | 8100006.cif |
|---|
| Formula | C11 H14 Cu N4 O7 |
|---|---|
| Calculated formula | C11 H14 Cu N4 O7 |
| SMILES | [Cu]12([n]3c(C(=O)O2)cccc3C(=O)O1)[n]1c(nccc1)N.O.O.O |
| Title of publication | Crystal structure of (2-aminopyrimidine)-(pyridine-2,6-dicarboxylato)- copper(II) trihydrate, Cu(C~4~H~5~N~3~)(C~7~H~3~NO~4~) · 3 H~2~O |
| Authors of publication | Altin, Ergün; Kirchmaier, Ralph; Lentz, Axel |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2004 |
| Journal volume | 219 |
| Journal issue | 1 |
| Pages of publication | 35 - 36 |
| a | 7.5217 ± 0.0018 Å |
| b | 9.754 ± 0.003 Å |
| c | 11.349 ± 0.003 Å |
| α | 108.87 ± 0.03° |
| β | 96.53 ± 0.03° |
| γ | 111.55 ± 0.03° |
| Cell volume | 706.8 ± 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 |
| 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. |
8100006.cif |
| 106804 | 2014-03-17 | cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8100006.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8100006.cif |
| 1061 | 2010-03-31 | Fixing tags from unrecognised_tag.lst |
8100006.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. |
8100006.cif |
| 48 | 2008-01-29 | Fixing syntax errors in 38 more files. There might be a miscrepancy introduced into cifs-with-errors.lst. |
8100006.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/' |
8100006.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8100006.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. |
8100006.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) |
8100006.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.