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Information card for entry 2019403
Preview
| Coordinates | 2019403.cif |
|---|---|
| Structure factors | 2019403.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | 1,1'-(Ethane-1,2-diyl)dipyridinium peroxodisulfate |
|---|---|
| Chemical name | 1,1'-(Ethane-1,2-diyl)dipyridinium hexaoxo-μ-peroxo-disulfate(2-) |
| Formula | C12 H14 N2 O8 S2 |
| Calculated formula | C12 H14 N2 O8 S2 |
| SMILES | C([n+]1ccccc1)C[n+]1ccccc1.[O-]S(=O)(=O)OOS(=O)(=O)[O-] |
| Title of publication | Hirshfeld surface analysis of the 1,1'-(ethane-1,2-diyl)dipyridinium dication in two new salts: perchlorate and peroxodisulfate |
| Authors of publication | Gholizadeh, Mostafa; Pourayoubi, Mehrdad; Farimaneh, Masoumeh; Tarahhomi, Atekeh; Dušek, Michal; Eigner, Václav |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | 230 - 235 |
| a | 8.2189 ± 0.0005 Å |
| b | 9.6676 ± 0.0006 Å |
| c | 9.8361 ± 0.0004 Å |
| α | 90° |
| β | 98.359 ± 0.004° |
| γ | 90° |
| Cell volume | 773.24 ± 0.07 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.71 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2019403.cif 2019403.hkl |
| 181864 | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019403.cif 2019403.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019403.cif 2019403.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2019403.cif 2019403.hkl |
| 104766 | 2014-03-11 | cif/ hkl/ Adding structures of 2019402, 2019403 via cif-deposit CGI script. |
2019403.cif 2019403.hkl |
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Users of the data should acknowledge the original authors of the
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