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Information card for entry 1010492
Preview
| Coordinates | 1010492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD; ChemSpider; PubChem |
| Chemical name | Carbon dioxide |
|---|---|
| Formula | C O2 |
| Calculated formula | C O2 |
| SMILES | O=C=O |
| Title of publication | Das Gitter des festen Kohlendioxyds |
| Authors of publication | de Smedt, J.; Keesom, W. H. |
| Journal of publication | Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie |
| Year of publication | 1925 |
| Journal volume | 62 |
| Pages of publication | 312 - 313 |
| a | 5.62 Å |
| b | 5.62 Å |
| c | 5.62 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 177.5 Å3 |
| Number of distinct elements | 2 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301772 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/01 Each referenced PubChem compound corresponds to the full crystal structure. |
1010492.cif |
| 209053 | 2018-07-16 | cif/1/01/04/ Updating bibliography and space group information in entries 1010489, 1010492. |
1010492.cif |
| 202026 | 2017-10-16 | cif/ Marking COD entries that are known to be related to the AMCSD entries using the _cod_related_entry data loop. |
1010492.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1010492.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1010492.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1010492.cif |
| 18746 | 2011-05-04 | cif/1/ Fixing chemical formlae of Carbon oxides in seven series 1 entries. |
1010492.cif |
| 1063 | 2010-03-31 | cif/ Fixing all author names that had '=' instead of ' ' (space sign): grep '^[0-9]' author-names-with-=.lst| awk '{print "../"substr($1,0,1)"/"$1".cif"}'| xargs -i sh -xc " perl -i -pe 's/=/ /g if /_publ_author_name/.../^_/' {}" and restoring journal names manualy afterwards. |
1010492.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. |
1010492.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/' |
1010492.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1010492.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. |
1010492.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) |
1010492.cif |
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Users of the data should acknowledge the original authors of the
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