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Information card for entry 1007193
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| Coordinates | 1007193.cif |
|---|
| Chemical name | Disodium tetraammonium cyclo-hexaphosphate dihydrate |
|---|---|
| Formula | H20 N4 Na2 O20 P6 |
| Calculated formula | H20 N4 Na2 O20 P6 |
| SMILES | O.[Na+].P1(=O)([O-])OP(=O)([O-])OP([O-])(=O)OP(=O)([O-])OP(=O)([O-])OP(=O)(O1)[O-].[Na+].[NH4+].[NH4+].O.[NH4+].[NH4+] |
| Title of publication | Crystal chemistry of cyclo-hexaphosphates. XV.Structures of sodium ammonium cyclo-hexaphosphate dihydrate and sodium rubidium cyclo- hexaphosphate hexahydrate |
| Authors of publication | Averbuch-Pouchot, M T; Durif, A |
| Journal of publication | Acta Crystallographica C (39,1983-) |
| Year of publication | 1991 |
| Journal volume | 47 |
| Pages of publication | 932 - 936 |
| a | 13.363 ± 0.007 Å |
| b | 11.58 ± 0.012 Å |
| c | 6.809 ± 0.005 Å |
| α | 90° |
| β | 101.87 ± 0.05° |
| γ | 90° |
| Cell volume | 1031.1 Å3 |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.023 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186518 (current) | 2016-09-12 | cif/ Reducing the number of attached hydrogens for some N and O atoms since the hydrogen atoms in question are explicitly described in the coordinate block. |
1007193.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1007193.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1007193.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. |
1007193.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/' |
1007193.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1007193.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. |
1007193.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) |
1007193.cif |
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