Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 5000151
Preview
| Coordinates | 5000151.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H4.339 N3 O8.669 |
|---|---|
| Calculated formula | C10 H5 N5 O16.6667 |
| Title of publication | Structures of 2,4,6-trinitro-1.3-benzenediol 2/3-hydrate and 2,4,6-trinitro-1,3,5-benzenetriol 2/3-hydrate |
| Authors of publication | Pierce-Butler, M. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1982 |
| Journal volume | 38 |
| Journal issue | 12 |
| Pages of publication | 3097 - 3100 |
| a | 12.6077 ± 0.0004 Å |
| b | 12.6077 ± 0.0004 Å |
| c | 10.1147 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1392.37 Å3 |
| Number of distinct elements | 4 |
| Space group number | 165 |
| Hermann-Mauguin space group symbol | P -3 c 1 |
| Hall space group symbol | -P 3 2"c |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175351 (current) | 2016-02-01 | cif/5/00/01/ (antanas@echidna.ibt.lt) Updating bibliography for entries 5000102, 5000104, 5000131, 5000140, 5000142, 5000148, 5000150, 5000151, 5000152, 5000153, 5000154. |
5000151.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
5000151.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
5000151.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. |
5000151.cif |
| 843 | 2009-11-13 | cif/ Fixing 8 entries (hopefully, the last ones) in which symmetry operators could not be parsed. |
5000151.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/' |
5000151.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
5000151.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. |
5000151.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) |
5000151.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.