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Information card for entry 2108687
Preview
| Coordinates | 2108687.cif |
|---|---|
| Structure factors | 2108687.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Poly[[tetrakis[μ-1,4-bis(pyridin-4-yl)benzene]bis[μ~5~-3-(3,5-dicarboxylatophenoxy)phthalato]tetracobalt(II)] bis[1,4-bis(pyridin-4-yl)benzene]] |
|---|---|
| Formula | C128 H85 Co4 N12 O18 |
| Calculated formula | C128 H84 Co4 N12 O18 |
| 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 | 31.055 ± 0.009 Å |
| b | 23.792 ± 0.006 Å |
| c | 16.54 ± 0.004 Å |
| α | 90° |
| β | 94.255 ± 0.005° |
| γ | 90° |
| Cell volume | 12187 ± 6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1677 |
| Residual factor for significantly intense reflections | 0.106 |
| Weighted residual factors for significantly intense reflections | 0.2474 |
| Weighted residual factors for all reflections included in the refinement | 0.28 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| 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. |
2108687.cif 2108687.hkl |
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Users of the data should acknowledge the original authors of the
structural data.