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Information card for entry 2000123
Preview
| Coordinates | 2000123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 D4 I2 |
|---|---|
| Calculated formula | C12 D8 I4 |
| Title of publication | Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations |
| Authors of publication | Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 1994 |
| Journal volume | 110 |
| Journal issue | 1 |
| Pages of publication | 20 - 27 |
| a | 17.092 Å |
| b | 7.461 Å |
| c | 6.154 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 784.779 Å3 |
| Ambient diffraction temperature | 333 K |
| Number of distinct elements | 3 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for significantly intense reflections | 0.131 |
| Weighted residual factors for significantly intense reflections | 0.131 |
| Diffraction radiation probe | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199775 (current) | 2017-08-16 | cif/2/00/01/ (antanas@kurmis) Updating bibliography in entries 2000103, 2000105, 2000106, 2000107, 2000110, 2000111, 2000113, 2000114, 2000115, 2000116, 2000117, 2000118, 2000122, 2000123, 2000124, 2000125, 2000129, 2000132. |
2000123.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
2000123.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2000123.cif |
| 106542 | 2014-03-15 | cod/ (saulius@kolibris) Manually fixing _diffrn_radiation_probe for 13 COD CIFs. |
2000123.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2000123.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. |
2000123.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/' |
2000123.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2000123.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. |
2000123.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) |
2000123.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.