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Information card for entry 2021595
Preview
| Coordinates | 2021595.cif |
|---|---|
| Structure factors | 2021595.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[aqua{μ~6~-4,4',4''-[benzene-1,3,5-triyltris(oxy)]tribenzoato}(μ-formato)[μ-1,1'-(1,4-phenylene)bis(1<i>H</i>-imidazole)]dicadmium(II)] dihydrate] |
|---|---|
| Formula | C40 H32 Cd2 N4 O14 |
| Calculated formula | C40 H28 Cd2 N4 O12 |
| Title of publication | Cadmium(II) three-dimensional coordination polymers constructed from 1,3,5-tris(4-carboxyphenoxy)benzene: synthesis, crystal structure, fluorescence and I~2~ sorption characterization |
| Authors of publication | Bai, Yuting; Han, Meirong; Wu, Enxi; Feng, Sisi; Zhu, Miaoli |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 5 |
| Pages of publication | 575 - 583 |
| a | 25.853 ± 0.005 Å |
| b | 18.594 ± 0.004 Å |
| c | 17.168 ± 0.003 Å |
| α | 90° |
| β | 107.14 ± 0.03° |
| γ | 90° |
| Cell volume | 7886 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215657 (current) | 2019-06-03 | cif/ Updating files of 2021594, 2021595 Original log message: Adding full bibliography for 2021594--2021595.cif. |
2021595.cif 2021595.hkl |
| 214688 | 2019-04-18 | cif/ hkl/ Adding structures of 2021594, 2021595 via cif-deposit CGI script. |
2021595.cif 2021595.hkl |
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Users of the data should acknowledge the original authors of the
structural data.