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Information card for entry 2019981
Preview
| Coordinates | 2019981.cif |
|---|---|
| Structure factors | 2019981.hkl |
| Original paper (by DOI) | HTML |
| Common name | [pipH2]2[Zn(pyrdc)2(H2O)]2.10H2O |
|---|---|
| Chemical name | Bis(piperazine-1,4-diium) 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^-bis[aqua(pyrazine-2,3-dicarboxylato-κ^2^<i>N</>^1^,<i>O</i>^2^)zinc(II)] decahydrate |
| Formula | C32 H56 N12 O28 Zn2 |
| Calculated formula | C32 H56 N12 O28 Zn2 |
| 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 | 10.2828 ± 0.0005 Å |
| b | 12.711 ± 0.0007 Å |
| c | 20.2387 ± 0.001 Å |
| α | 96.671 ± 0.003° |
| β | 98.2 ± 0.003° |
| γ | 112.923 ± 0.004° |
| Cell volume | 2368.3 ± 0.2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0301 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.0711 |
| Weighted residual factors for all reflections included in the refinement | 0.0756 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2019981.cif 2019981.hkl |
| 139186 | 2015-06-14 | cif/ hkl/ Adding structures of 2019980, 2019981, 2019982 via cif-deposit CGI script. |
2019981.cif 2019981.hkl |
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