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Information card for entry 4504849
Preview
| Coordinates | 4504849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H22 Mn N6 O7 S2 |
|---|---|
| Calculated formula | C14 H22 Mn N6 O7 S2 |
| Title of publication | Structures and Magnetism of a Series Mn(II) Coordination Polymers Containing Pyrazine-Dioxide Derivatives and Different Anions |
| Authors of publication | Sun, Hao-Ling; Gao, Song; Ma, Bao-Qing; Su, Gang; Batten, Stuart R. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2005 |
| Journal volume | 5 |
| Journal issue | 1 |
| Pages of publication | 269 |
| a | 6.7051 ± 0.0001 Å |
| b | 31.4258 ± 0.0006 Å |
| c | 10.5128 ± 0.0003 Å |
| α | 90° |
| β | 100.936 ± 0.0006° |
| γ | 90° |
| Cell volume | 2174.96 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1081 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1307 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4504849.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4504849.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4504849.cif |
| 50013 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4504849, 4504850, 4504851, 4504852 via cif-deposit CGI script. |
4504849.cif |
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Users of the data should acknowledge the original authors of the
structural data.