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Information card for entry 2020857
Preview
| Coordinates | 2020857.cif |
|---|---|
| Structure factors | 2020857.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[[μ~4~-1,4-bis(1,2,4-triazol-1-yl)but-2-ene]bis(μ~3~-5-carboxybenzene-1,3-dicarboxylato)dicadmium(II)] dihydrate] |
|---|---|
| Formula | C13 H11 Cd N3 O7 |
| Calculated formula | C26 H22 Cd2 N6 O14 |
| Title of publication | A three-dimensional cadmium coordination polymer based on 1,4-bis(1,2,4-triazol-1-yl)but-2-ene and benzene-1,3,5-tricarboxylic acid |
| Authors of publication | Zhou, Qian-Kun; Li, Ni-Ya |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 9 |
| a | 16.56 ± 0.003 Å |
| b | 13.383 ± 0.003 Å |
| c | 13.302 ± 0.003 Å |
| α | 90° |
| β | 111.47 ± 0.03° |
| γ | 90° |
| Cell volume | 2743.5 ± 1.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0209 |
| Residual factor for significantly intense reflections | 0.0201 |
| Weighted residual factors for significantly intense reflections | 0.0468 |
| Weighted residual factors for all reflections included in the refinement | 0.0473 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199942 (current) | 2017-08-25 | cif/ hkl/ Adding structures of 2020857 via cif-deposit CGI script. |
2020857.cif 2020857.hkl |
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