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Information card for entry 2021748
Preview
| Coordinates | 2021748.cif |
|---|---|
| Structure factors | 2021748.hkl |
| Original IUCr paper | HTML |
| Chemical name | \ Poly[[pentaaquabis[μ~3~-5-(4-carboxybenzyloxy)isophthalato]bis[μ~6~-5-(4-\ carboxylatobenzyloxy)isophthalato]di-μ~3~-hydroxido-hexazinc(II)] trihydrate] |
|---|---|
| Formula | C64 H56 O38 Zn6 |
| Calculated formula | C64 H56 O38 Zn6 |
| Title of publication | Three new Zn^II^ coordination polymers constructed from a semi-rigid tricarboxylic acid: structural changes caused by flexibility and luminescence sensing for hexavalent chromate anions |
| Authors of publication | An, Yanyan; Lu, Liping; Zhu, Miaoli |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 9 |
| a | 11.1726 ± 0.0008 Å |
| b | 17.3565 ± 0.0012 Å |
| c | 18.1282 ± 0.0012 Å |
| α | 106.232 ± 0.002° |
| β | 94.712 ± 0.002° |
| γ | 100.804 ± 0.002° |
| Cell volume | 3281.5 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0371 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.0917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217609 (current) | 2019-08-20 | cif/ hkl/ Adding structures of 2021748, 2021749, 2021750 via cif-deposit CGI script. |
2021748.cif 2021748.hkl |
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Users of the data should acknowledge the original authors of the
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