Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 5000025
Preview
| Coordinates | 5000025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2,3,7,8-Tetrachloro-dibenzo-p-dioxin |
|---|---|
| Formula | C12 H4 Cl4 O2 |
| Calculated formula | C24 H8 Cl8 O4 |
| Title of publication | X-ray Diffraction Studies of Chlorinated Dibenzo-p-dioxins |
| Authors of publication | Boer, F. P.; Neuman, M. A.; van Remoortere, F. P.; North, P. P.; Rinn, H. W. |
| Journal of publication | Chlorodioxins ‒ Origin and Fate |
| Year of publication | 1973 |
| Journal volume | 120 |
| Pages of publication | 14 - 25 |
| a | 3.783 ± 0.003 Å |
| b | 9.975 ± 0.009 Å |
| c | 15.639 ± 0.015 Å |
| α | 94.14 ± 0.02° |
| β | 95.2 ± 0.04° |
| γ | 92.77 ± 0.04° |
| Cell volume | 585.287 Å3 |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 3.6 |
| Weighted residual factors for significantly intense reflections | 3.6 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175309 (current) | 2016-01-30 | cif/5/00/ (antanas@kurmis) Updating bibliography for entries 5000020-5000025, 5000028-5000029. |
5000025.cif |
| 174563 | 2016-01-19 | cif/5/00/ (antanas@echidna.ibt.lt) Updating bibliography for entry 5000025. |
5000025.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
5000025.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
5000025.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. |
5000025.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/' |
5000025.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
5000025.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. |
5000025.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) |
5000025.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.