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Information card for entry 2020942
Preview
| Coordinates | 2020942.cif |
|---|---|
| Structure factors | 2020942.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[diaqua[μ~4~-2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalato-κ^4^<i>O</i>^1^:<i>O</i>^4^:<i>N</i>^4^:<i>N</i>^4'^]cadmium(II)] |
|---|---|
| Formula | C12 H10 Cd N6 O6 |
| Calculated formula | C12 H10 Cd N6 O6 |
| Title of publication | Synthesis, crystal structure and characterization of a three-dimensional Cd^II^ coordination polymer constructed from 2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalate |
| Authors of publication | Meng, Li; Zhu, Miao-Li; Lu, Li-Ping |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| a | 20.0932 ± 0.0009 Å |
| b | 7.1128 ± 0.0003 Å |
| c | 10.4548 ± 0.0004 Å |
| α | 90° |
| β | 96.857 ± 0.001° |
| γ | 90° |
| Cell volume | 1483.5 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0172 |
| Residual factor for significantly intense reflections | 0.0156 |
| Weighted residual factors for significantly intense reflections | 0.0379 |
| Weighted residual factors for all reflections included in the refinement | 0.0386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205352 (current) | 2018-01-18 | cif/ hkl/ Adding structures of 2020942 via cif-deposit CGI script. |
2020942.cif 2020942.hkl |
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