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Information card for entry 8100583
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| Coordinates | 8100583.cif |
|---|---|
| External links | AMCSD |
| Formula | Ca H4 O6 S |
|---|---|
| Calculated formula | Ca H4 O6 S |
| SMILES | [Ca]([OH2])[OH2].S(=O)(=O)([O-])[O-] |
| Title of publication | Redetermination of the crystal structure of calcium sulphate dihydrate, CaSO~4~ · 2H~2~O |
| Authors of publication | Boeyens, J. C. A.; Ichharam, V. V. H. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2002 |
| Journal volume | 217 |
| Journal issue | 1 |
| Pages of publication | 9 - 10 |
| a | 6.284 ± 0.001 Å |
| b | 15.2 ± 0.001 Å |
| c | 6.523 ± 0.0012 Å |
| α | 90° |
| β | 127.414 ± 0.011° |
| γ | 90° |
| Cell volume | 494.87 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282545 (current) | 2023-04-10 | cif/8/10/05/ Marked entry 8100583 as being related to AMCSD entry 0011093. Removed the '_amcsd_database_code' data item since it had an outdated value that is no longer relevant. |
8100583.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8100583.cif |
| 103365 | 2014-03-03 | cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8100583.cif |
| 100680 | 2014-02-06 | cif/8/10/ (antanas@lokys.ibt.lt) Added paper volumes. |
8100583.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8100583.cif |
| 1212 | 2010-06-10 | cif/ Inserting AMCSD numbers for the automatically recognised series 1, 2, 4, 5 and 8 CIFs. |
8100583.cif |
| 1084 | 2010-04-11 | cif/{4,8}/ Merging bibliography and pressure data into 3 series 4 and 3 series 8 CIFs from AMCSD-resynchronisation-2009.06.24/. |
8100583.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. |
8100583.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. |
8100583.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/' |
8100583.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8100583.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. |
8100583.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) |
8100583.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.