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Information card for entry 8101470
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| Coordinates | 8101470.cif |
|---|
| Formula | C12 H17 O7 |
|---|---|
| Calculated formula | C12 H17 O7 |
| Title of publication | Crystal structure of 1,2,3,4,5,6-hexakis(2'-carboxyethyl)benzene dihydrate, C24H30O12 · 2H2O |
| Authors of publication | Podlaha, J.; Císařová, I.; Holý, P.; Závada, J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 2 |
| Pages of publication | 183 - 184 |
| a | 9.2282 ± 0.0004 Å |
| b | 9.2902 ± 0.0006 Å |
| c | 9.5154 ± 0.0009 Å |
| α | 91.241 ± 0.006° |
| β | 109.179 ± 0.006° |
| γ | 116.508 ± 0.004° |
| Cell volume | 675.69 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1346 |
| 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. |
8101470.cif |
| 102501 | 2014-02-21 | cif/8/ (antanas@lokys.ibt.lt) Adding bibliographic information: issue, first page, last page. |
8101470.cif |
| 100411 | 2014-02-06 | cif/8/10/ (antanas@lokys.ibt.lt) Adding volume number. |
8101470.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101470.cif |
| 31979 | 2012-01-03 | cif/ Removing asteriscs from author names in 146 more COD entries. |
8101470.cif |
| 31978 | 2012-01-03 | cif/ Fixing manually three non-regular author names that had stars attached. |
8101470.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. |
8101470.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/' |
8101470.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101470.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. |
8101470.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) |
8101470.cif |
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Users of the data should acknowledge the original authors of the
structural data.