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Information card for entry 2021941
Preview
| Coordinates | 2021941.cif |
|---|---|
| Structure factors | 2021941.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaqua{μ~4~-1,1,2,2-tetrakis[4-(1<i>H</i>-1,2,4-triazol-1-yl)phenyl]ethylene-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}cobalt(II)] benzene-1,4-dicarboxylic acid benzene-1,4-dicarboxylate] |
|---|---|
| Formula | C50 H38 Co N12 O10 |
| Calculated formula | C50 H38 Co N12 O10 |
| Title of publication | A Co-MOF with a (4,4)-connected binodal two-dimensional topology: synthesis, structure and photocatalytic properties |
| Authors of publication | Wang, Zhi-Xiang; Tian, Hai-Xin; Ding, Jian-Gang; Li, Bao-Long; Wu, Bing |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 1 |
| Pages of publication | 23 - 29 |
| a | 7.4985 ± 0.0005 Å |
| b | 11.3099 ± 0.0007 Å |
| c | 14.7152 ± 0.0007 Å |
| α | 101.142 ± 0.005° |
| β | 95.336 ± 0.005° |
| γ | 99.286 ± 0.006° |
| Cell volume | 1198.41 ± 0.13 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120.15 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 | 0.1072 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1124 |
| Weighted residual factors for all reflections included in the refinement | 0.1399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246411 (current) | 2020-01-01 | cif/ hkl/ Adding structures of 2021941 via cif-deposit CGI script. |
2021941.cif 2021941.hkl |
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Users of the data should acknowledge the original authors of the
structural data.