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Information card for entry 2020088
Preview
| Coordinates | 2020088.cif |
|---|---|
| Structure factors | 2020088.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[sesqui(μ~2~-4,4'-bipyridine)bis(dimethylformamide)bis(μ~4~-4,4',4''-nitrilotribenzoato)trizinc(II)] |
|---|---|
| Formula | C63 H50 N7 O14 Zn3 |
| Calculated formula | C63 H50 N7 O14 Zn3 |
| Title of publication | A zinc(II) metal‒organic framework with a novel topology formed from 4,4',4''-nitrilotribenzoate and 4,4'-bipyridine ligands |
| Authors of publication | Zhao, Meng; Su, Jian; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| a | 13.6198 ± 0.0019 Å |
| b | 13.962 ± 0.002 Å |
| c | 26.646 ± 0.004 Å |
| α | 85.035 ± 0.002° |
| β | 89.776 ± 0.002° |
| γ | 86.223 ± 0.002° |
| Cell volume | 5037 ± 1.3 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 | 0.1003 |
| Residual factor for significantly intense reflections | 0.0709 |
| Weighted residual factors for significantly intense reflections | 0.2014 |
| Weighted residual factors for all reflections included in the refinement | 0.2163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181870 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020088.cif 2020088.hkl |
| 153456 | 2015-08-16 | cif/ hkl/ Adding structures of 2020088 via cif-deposit CGI script. |
2020088.cif 2020088.hkl |
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Users of the data should acknowledge the original authors of the
structural data.