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Information card for entry 1010500
Preview
| Coordinates | 1010500.cif |
|---|
| Chemical name | Calcium duo-dicarbide |
|---|---|
| Formula | C4 Ca2 |
| Calculated formula | C4 Ca2 |
| SMILES | [Ca+2].[Ca+2].[C-]12[C-]3[C-]1[C-]23 |
| Title of publication | Die Kristallstruktur des Calciumcarbides. |
| Authors of publication | Dehlinger, U; Glocker, R |
| Journal of publication | Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) |
| Year of publication | 1926 |
| Journal volume | 64 |
| Pages of publication | 296 - 302 |
| a | 5.73 ± 0.01 Å |
| b | 5.73 ± 0.01 Å |
| c | 5.73 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 188.1 Å3 |
| Number of distinct elements | 2 |
| Space group number | 201 |
| Hermann-Mauguin space group symbol | P n -3 :1 |
| Hall space group symbol | P 2 2 3 -1n |
| 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. |
1010500.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1010500.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1010500.cif |
| 20519 | 2011-06-11 | smi/* and cif/* Adding SMILES for all structures with nel=1 in the mysql entries, supossed to be pure elements. For most of them, just the element symbol remains since SMILES strings and substructure search makes no sense for compact packed structures. Only for molecularly defined substances (for example cyclosulphur moieties) a proper SMILES string has been defined. This does not add too much funcionality to substructure search but flags a large number of structures as "SMILES done". Some of them were found to be not pure elements (carbides, boranes, hydrocarbons) but were added anyway. CIF files and SQL entries have been fixed for these as well as for other with obviously wrong formulas. |
1010500.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. |
1010500.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
1010500.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/' |
1010500.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1010500.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. |
1010500.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) |
1010500.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.