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Information card for entry 2021444
Preview
| Coordinates | 2021444.cif |
|---|---|
| Structure factors | 2021444.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)bis[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>]cadmium(II)] <i>N</i>,<i>N</i>-dimethylformamide monosolvate methanol monosolvate] |
|---|---|
| Formula | C27 H21 Cd N5 O9 |
| Calculated formula | C27 H21 Cd N5 O9 |
| Title of publication | Three novel topologically different metal‒organic frameworks built from 3-nitro-4-(pyridin-4-yl)benzoic acid |
| Authors of publication | Qin, Tao; Zhang, Shunlin; Wang, Yixiong; Hou, Tianjiao; Zhu, Dunru; Jing, Su |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 2 |
| a | 12.829 ± 0.005 Å |
| b | 15.854 ± 0.006 Å |
| c | 20.769 ± 0.006 Å |
| α | 90° |
| β | 122.215 ± 0.018° |
| γ | 90° |
| Cell volume | 3574 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0694 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1273 |
| Weighted residual factors for all reflections included in the refinement | 0.136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213285 (current) | 2019-01-24 | cif/ hkl/ Adding structures of 2021444, 2021445, 2021446 via cif-deposit CGI script. |
2021444.cif 2021444.hkl |
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Users of the data should acknowledge the original authors of the
structural data.