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Information card for entry 2108685
Preview
| Coordinates | 2108685.cif |
|---|---|
| Structure factors | 2108685.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Poly[[μ~7~-3-(3,5-dicarboxylatophenoxy)phthalato](1,10-phenanthroline)dicadmium(II)] |
|---|---|
| Formula | C28 H14 Cd2 N2 O9 |
| Calculated formula | C28 H14 Cd2 N2 O9 |
| 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 | 11.2042 ± 0.0004 Å |
| b | 11.2728 ± 0.0005 Å |
| c | 11.7208 ± 0.0004 Å |
| α | 109.537 ± 0.001° |
| β | 97.561 ± 0.001° |
| γ | 110.368 ± 0.001° |
| Cell volume | 1255.34 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0247 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.0597 |
| Weighted residual factors for all reflections included in the refinement | 0.0603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| 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. |
2108685.cif 2108685.hkl |
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Users of the data should acknowledge the original authors of the
structural data.