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Information card for entry 2000064
Preview
| Coordinates | 2000064.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H30 N3 O9 P3 |
|---|---|
| Calculated formula | C9 H30 N3 O9 P3 |
| Title of publication | Structure of isopropylammonium cyclo-triphosphate |
| Authors of publication | Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. |
| Journal of publication | Acta Crystallographica, Section C: Crystal Structure Communications |
| Year of publication | 1988 |
| Journal volume | 44 |
| Journal issue | 11 |
| Pages of publication | 1907 - 1909 |
| a | 25.22 ± 0.02 Å |
| b | 12.22 ± 0.02 Å |
| c | 15.45 ± 0.02 Å |
| α | 90° |
| β | 123.9 ± 0.05° |
| γ | 90° |
| Cell volume | 3952.11 Å3 |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.039 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199646 (current) | 2017-08-08 | cif/2/00/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 2000047, 2000064, 2000086, 2000100, 2000157, 2000159, 2000175, 2000211, 2000213, 2000215, 2000236, 2000237, 2000250, 2000251, 2000253. |
2000064.cif |
| 199605 | 2017-08-07 | cif/2/00/00/ (antanas@kurmis) Updating bibliography in entry 2000064. |
2000064.cif |
| 176759 | 2016-02-19 | cif/2/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/00. |
2000064.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2000064.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. |
2000064.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
2000064.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/' |
2000064.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2000064.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. |
2000064.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) |
2000064.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
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