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Information card for entry 8100199
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| Coordinates | 8100199.cif |
|---|
| Common name | Betaine Calcium Perchlorate |
|---|---|
| Formula | C15 H35 Ca1.5 Cl3 N3 O19 |
| Calculated formula | C15 H35 Ca1.5 Cl3 N3 O19 |
| Title of publication | Crystal structure of catena-aqua-trisbetaine-perchlorato-sesquicalcium diperchlorate, [Ca~1.5~(H~2~O)(C~5~H~11~NO~2~)~3~(ClO~4~)](ClO~4~) ~2~ |
| Authors of publication | Rodrigues, V. H.; Costa, M. M. R.; Paixão, J. A.; Santos, M. L.; Agostinho Moreira, J.; Chaves, M. R.; Almeida, A.; Klöpperpieper, A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2004 |
| Journal volume | 219 |
| Journal issue | 4 |
| Pages of publication | 448 - 450 |
| a | 10.3012 ± 0.0015 Å |
| b | 13.0789 ± 0.0015 Å |
| c | 13.1742 ± 0.0018 Å |
| α | 107.058 ± 0.01° |
| β | 107.345 ± 0.011° |
| γ | 103.352 ± 0.011° |
| Cell volume | 1517.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| 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. |
8100199.cif |
| 107867 | 2014-03-22 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8100199.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8100199.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
8100199.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. |
8100199.cif |
| 56 | 2008-01-30 | 20 files corrected for syntax errors. |
8100199.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/' |
8100199.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8100199.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. |
8100199.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) |
8100199.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.