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Information card for entry 2021959
Preview
| Coordinates | 2021959.cif |
|---|---|
| Structure factors | 2021959.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene][μ-(<i>R</i>)-4-(1-carboxylatoethoxy)benzoato]zinc(II)] monohydrate] |
|---|---|
| Formula | C24 H24 N4 O6 Zn |
| Calculated formula | C24 H24 N4 O6 Zn |
| Title of publication | Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers |
| Authors of publication | Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 2 |
| a | 8.2888 ± 0.0005 Å |
| b | 14.3618 ± 0.0007 Å |
| c | 10.2195 ± 0.0007 Å |
| α | 90° |
| β | 104.509 ± 0.007° |
| γ | 90° |
| Cell volume | 1177.75 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246949 (current) | 2020-01-17 | cif/ hkl/ Adding structures of 2021958, 2021959, 2021960, 2021961 via cif-deposit CGI script. |
2021959.cif 2021959.hkl |
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Users of the data should acknowledge the original authors of the
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