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Information card for entry 1010480
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| Coordinates | 1010480.cif |
|---|---|
| External links | AMCSD |
| Chemical name | Nonacarbonyl diiron |
|---|---|
| Formula | C9 Fe2 O9 |
| Calculated formula | C9 Fe2 O9 |
| SMILES | C1(=O)[Fe]2(C#[O])(C(=O)[Fe]1(C2=O)(C#[O])(C#[O])C#[O])(C#[O])C#[O] |
| Title of publication | The Crystal Structure of Iron Enneacarbonyl |
| Authors of publication | Powell, H M; Ewens, R V G |
| Journal of publication | Journal of the Chemical Society |
| Year of publication | 1939 |
| Journal volume | 1939 |
| Pages of publication | 286 - 292 |
| a | 6.45 Å |
| b | 6.45 Å |
| c | 15.98 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 575.7 Å3 |
| Number of distinct elements | 3 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278158 (current) | 2022-09-25 | cod/ Reformatted the summary chemical formuale using the 'cif_filter' program. |
1010480.cif |
| 277833 | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
1010480.cif |
| 277832 | 2022-09-14 | cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
1010480.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1010480.cif |
| 21739 | 2011-06-27 | smi/7 More SMILES and a few minor CIF fixes. |
1010480.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. |
1010480.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/' |
1010480.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1010480.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. |
1010480.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) |
1010480.cif |
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Users of the data should acknowledge the original authors of the
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