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Information card for entry 1008710
Preview
| Coordinates | 1008710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Dodecaguanidinium cyclo-dodecaphosphate hexahydrate |
|---|---|
| Formula | C12 H84 N36 O42 P12 |
| Calculated formula | C12 H84 N36 O42 P12 |
| Title of publication | Preparation and crystal structure of guanidinium cyclododecaphosphate hexahydrate: (C (N H2)3)12 P12 O36 . 6(H2 O) |
| Authors of publication | Schuelke, U; Averbuch-Pouchot, M T |
| Journal of publication | Zeitschrift fuer Anorganische und Allgemeine Chemie |
| Year of publication | 1995 |
| Journal volume | 621 |
| Pages of publication | 1232 - 1236 |
| a | 15.904 ± 0.007 Å |
| b | 15.904 ± 0.007 Å |
| c | 16.67 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3651.6 Å3 |
| Number of distinct elements | 5 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.05 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200452 (current) | 2017-09-11 | cif/1/ Removing dummy H atoms since the hydrogen atoms they represent are already marked using the _atom_site_attached_hydrogens data item. |
1008710.cif |
| 186540 | 2016-09-13 | cif/1/00/ Reducing the number of attached hydrogens for 'H25' and 'H26' hydrogen atoms to 0 and increasing the attached hydrogen count to 2 for the 'O13' water oxygen atom. |
1008710.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1008710.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1008710.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1008710.cif |
| 85286 | 2013-05-06 | Fixed additional structures by Luca | 1008710.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1008710.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. |
1008710.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/' |
1008710.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1008710.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. |
1008710.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) |
1008710.cif |
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Users of the data should acknowledge the original authors of the
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