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Information card for entry 4314828
Preview
| Coordinates | 4314828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H4 Cu N4 O6 |
|---|---|
| Calculated formula | C4 H4 Cu N4 O6 |
| Title of publication | First-Principles Bottom-Up Study of 1D to 3D Magnetic Transformation in the Copper Pyrazine Dinitrate S=1/2 Antiferromagnetic Crystal |
| Authors of publication | J. Jornet-Somoza; M. Deumal; M. A. Robb; C. P. Landee; M. M. Turnbull; R. Feyerherm; J. J. Novoa |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 1750 - 1760 |
| a | 6.69166 ± 0.00012 Å |
| b | 5.10538 ± 0.00008 Å |
| c | 11.60022 ± 0.00018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 396.304 ± 0.011 Å3 |
| Number of distinct elements | 5 |
| Space group number | 53 |
| Hermann-Mauguin space group symbol | P m n a |
| Hall space group symbol | -P 2ac 2 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179228 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/48. |
4314828.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314828.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314828.cif |
| 7971 | 2011-02-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4314828 via cif-deposit CGI script. |
4314828.cif |
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Users of the data should acknowledge the original authors of the
structural data.