Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1007209
Preview
| Coordinates | 1007209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Chemical name | Octasodium cyclo-octaphosphate hexahydrate |
|---|---|
| Formula | H12 Na8 O30 P8 |
| Calculated formula | H12 Na8 O30 P8 |
| SMILES | O.[Na+].[Na+].[Na+].O.P1(=O)([O-])OP(=O)(OP(=O)(OP(=O)([O-])OP(=O)([O-])OP(=O)(OP(=O)(OP(=O)([O-])O1)[O-])[O-])[O-])[O-].[Na+].[Na+].[Na+].O.O.O.O.[Na+].[Na+] |
| Title of publication | Crystal structure of sodium cyclooctaphosphate hexahydrate, Na~8~P~8~O~24~ . 6H~2~O |
| Authors of publication | Schuelke, U; Averbuch-Pouchot, M T; Durif, A |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 1992 |
| Journal volume | 98 |
| Pages of publication | 213 - 218 |
| a | 6.622 ± 0.002 Å |
| b | 10.031 ± 0.004 Å |
| c | 11.25 ± 0.004 Å |
| α | 104.06 ± 0.05° |
| β | 101.21 ± 0.05° |
| γ | 90.88 ± 0.05° |
| Cell volume | 709.5 Å3 |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.036 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186542 (current) | 2016-09-13 | cif/ Reducing the number of attached hydrogens for O atoms since the hydrogen atoms in question are explicitly described in the coordinate block. |
1007209.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1007209.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1007209.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1007209.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. |
1007209.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/' |
1007209.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1007209.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. |
1007209.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) |
1007209.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.