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Information card for entry 2020112
Preview
| Coordinates | 2020112.cif |
|---|---|
| Structure factors | 2020112.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[tetraaqua[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis(μ~2~-pyrazine-2,3-dicarboxylato-κ^3^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^3^)dicadmium(II)] dihydrate] |
|---|---|
| Formula | C20 H28 Cd2 N10 O14 |
| Calculated formula | C20 H28 Cd2 N10 O14 |
| Title of publication | Two new cadmium(II) coordination polymers based on bis(1,2,4-triazol-1-yl)alkane ligands and pyrazine-2,3-dicarboxylic acid |
| Authors of publication | Xia, Jun; Gong, Xiao-Lin; Fan, Xing |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| a | 7.6647 ± 0.0005 Å |
| b | 26.6935 ± 0.0014 Å |
| c | 7.535 ± 0.0005 Å |
| α | 90° |
| β | 111.787 ± 0.007° |
| γ | 90° |
| Cell volume | 1431.52 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0365 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.0767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181871 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/01 |
2020112.cif 2020112.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2020112.cif 2020112.hkl |
| 158194 | 2015-09-21 | cif/ hkl/ Adding structures of 2020112, 2020113 via cif-deposit CGI script. |
2020112.cif 2020112.hkl |
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Users of the data should acknowledge the original authors of the
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