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Information card for entry 2020113
Preview
| Coordinates | 2020113.cif |
|---|---|
| Structure factors | 2020113.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Poly[[diaqua[μ~2~-1,2-bis(1,2,4-triazol-1-yl)ethane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis(μ~3~-pyrazine-2,3-dicarboxylato-κ^4^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^3'^)dicadmium(II)] dihydrate] |
|---|---|
| Formula | C18 H20 Cd2 N10 O12 |
| Calculated formula | C18 H20 Cd2 N10 O12 |
| 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 | 7.0219 ± 0.0014 Å |
| b | 8.4215 ± 0.0017 Å |
| c | 10.913 ± 0.002 Å |
| α | 81.75 ± 0.03° |
| β | 84.05 ± 0.03° |
| γ | 75.12 ± 0.03° |
| Cell volume | 615.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| 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 |
2020113.cif 2020113.hkl |
| 158194 | 2015-09-21 | cif/ hkl/ Adding structures of 2020112, 2020113 via cif-deposit CGI script. |
2020113.cif 2020113.hkl |
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