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Information card for entry 2021407
Preview
| Coordinates | 2021407.cif |
|---|---|
| Structure factors | 2021407.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaqua[μ-2,7-bis(1<i>H</i>-imidazol-1-yl)fluorene-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ-5,5'-methylenebis(3-carboxy-2,4,6-trimethylbenzoato)-κ^2^<i>O</i>^1^:<i>O</i>^1'^]zinc(II)] hemihydrate] |
|---|---|
| Formula | C42 H39 N4 O10.5 Zn |
| Calculated formula | C42 H39.5 N4 O10.25 Zn |
| Title of publication | A three-dimensional Zn^II^ coordination network based on 5,5'-methylenebis(2,4,6-trimethylisophthalic acid) and 2,7-bis(1<i>H</i>-imidazol-1-yl)fluorene: synthesis, structure and luminescence properties |
| Authors of publication | Chen, Zhen; Sun, Yanwen; Liu, Zi-an; Wang, Ning; Yang, Xue; You, Xiaomeng; Wang, Xiaozhong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 1 |
| Pages of publication | 8 - 14 |
| a | 11.099 ± 0.009 Å |
| b | 12.917 ± 0.011 Å |
| c | 26.55 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3806 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 54 |
| Hermann-Mauguin space group symbol | P c a a |
| Hall space group symbol | -P 2ac 2c |
| Residual factor for all reflections | 0.0766 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1206 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213462 (current) | 2019-02-03 | cif/ Updating files of 2021407 Original log message: Adding full bibliography for 2021407.cif. |
2021407.cif 2021407.hkl |
| 212400 | 2018-12-06 | cif/ hkl/ Adding structures of 2021407 via cif-deposit CGI script. |
2021407.cif 2021407.hkl |
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