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Information card for entry 2000067
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| Coordinates | 2000067.cif |
|---|---|
| External links | PubChem |
| Formula | C4 H18 N2 O9 P2 |
|---|---|
| Calculated formula | C4 H18 N2 O9 P2 |
| Title of publication | Crystal structure of bis(ethanolammonium)-dihydrogeno-diphosphate: (NH~3^-^~C~2~H~4^-^~OH)~2~H~2~P~2~O~7~ |
| Authors of publication | Averbuch-Pouchot, M. T.; Durif, A. |
| Journal of publication | European Journal of Solid State and Inorganic Chemistry |
| Year of publication | 1992 |
| Journal volume | 29 |
| Journal issue | 3 |
| Pages of publication | 411 - 418 |
| a | 9.003 ± 0.001 Å |
| b | 8.772 ± 0.001 Å |
| c | 8.151 ± 0.001 Å |
| α | 107.82 ± 0.03° |
| β | 93.16 ± 0.03° |
| γ | 94.14 ± 0.03° |
| Cell volume | 609.212 Å3 |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.035 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301791 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/00 Each referenced PubChem compound corresponds to the full crystal structure. |
2000067.cif |
| 182180 | 2016-04-17 | cif/2/00/ (antanas@echidna.ibt.lt) Updating bibliography for entries 2000001, 2000067, 2000068. |
2000067.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
2000067.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2000067.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. |
2000067.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/' |
2000067.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2000067.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. |
2000067.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) |
2000067.cif |
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Users of the data should acknowledge the original authors of the
structural data.