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Information card for entry 2108682
Preview
| Coordinates | 2108682.cif |
|---|---|
| Structure factors | 2108682.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Poly[triaqua[μ~6~-3-(3,5-dicarboxylatophenoxy)phthalato]dizinc(II)] |
|---|---|
| Formula | C16 H12 O12 Zn2 |
| Calculated formula | C16 H12 O12 Zn2 |
| Title of publication | Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties |
| Authors of publication | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 6 |
| a | 16.1681 ± 0.0013 Å |
| b | 16.261 ± 0.0013 Å |
| c | 13.7893 ± 0.0011 Å |
| α | 90° |
| β | 110.508 ± 0.001° |
| γ | 90° |
| Cell volume | 3395.6 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0238 |
| Residual factor for significantly intense reflections | 0.0207 |
| Weighted residual factors for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections included in the refinement | 0.0554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259105 (current) | 2020-11-12 | cif/ hkl/ Adding structures of 2108682, 2108683, 2108684, 2108685, 2108686, 2108687, 2108688 via cif-deposit CGI script. |
2108682.cif 2108682.hkl |
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Users of the data should acknowledge the original authors of the
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