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Information card for entry 4105680
Preview
| Coordinates | 4105680.cif |
|---|---|
| Structure factors | 4105680.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | Co |
|---|---|
| Calculated formula | Co |
| SMILES | [Co] |
| Title of publication | High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution |
| Authors of publication | Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 2691 - 2705 |
| a | 5.6337 ± 0.00026 Å |
| b | 5.6337 ± 0.00026 Å |
| c | 17.6466 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 560.08 ± 0.04 Å3 |
| Number of distinct elements | 1 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Goodness-of-fit parameter for all reflections | 1.67 |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4105680.cif 4105680.hkl |
| 180700 | 2016-04-02 | cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property. |
4105680.cif 4105680.hkl |
| 178802 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/56. |
4105680.cif 4105680.hkl |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4105680.cif 4105680.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 4105680.cif 4105680.hkl |
| 52461 | 2012-04-11 | hkl/4 Moving Fobs files to their proper places and adding a few not uploaded by the ADS. |
4105680.cif 4105680.hkl |
| 52441 | 2012-04-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4105680 via cif-deposit CGI script. |
4105680.cif |
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Users of the data should acknowledge the original authors of the
structural data.