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Information card for entry 2019982
Preview
| Coordinates | 2019982.cif |
|---|---|
| Structure factors | 2019982.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-Poly[piperazine-1,4-diium [cobalt(II)-bis(μ-pyrazine-2,3-dicarboxylato)-κ^3^<i>N</>^1^,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</>^1^,<i>O</i>^2^] hexahydrate] |
|---|---|
| Formula | C16 H28 Co N6 O14 |
| Calculated formula | C16 H28 Co N6 O14 |
| SMILES | [Co]12OC(=O)c3[n]1ccnc3C(=O)O[Co]13(OC(=O)c4[n]3ccnc4C(=O)[O-])(OC(=O)c3[n]1ccnc3C(=O)O2)OC(=O)c1nccnc1C(=O)[O-].O.O.O.O.O.O.[NH2+]1CC[NH2+]CC1.O.O.O.O.O.O.[NH2+]1CC[NH2+]CC1 |
| Title of publication | Structures of Co^II^ and Zn^II^ complexes of the proton-transfer compound derived from pyrazine-2,3-dicarboxylic acid and piperazine |
| Authors of publication | Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Olmstead, Marilyn M.; Almasi, Mehdi |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| a | 6.5238 ± 0.0002 Å |
| b | 17.3808 ± 0.0005 Å |
| c | 10.6599 ± 0.0003 Å |
| α | 90° |
| β | 100.656 ± 0.003° |
| γ | 90° |
| Cell volume | 1187.87 ± 0.06 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0283 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0661 |
| Weighted residual factors for all reflections included in the refinement | 0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019982.cif 2019982.hkl |
| 139186 | 2015-06-14 | cif/ hkl/ Adding structures of 2019980, 2019981, 2019982 via cif-deposit CGI script. |
2019982.cif 2019982.hkl |
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Users of the data should acknowledge the original authors of the
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