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Information card for entry 2021626
Preview
| Coordinates | 2021626.cif |
|---|---|
| Structure factors | 2021626.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaquatris[μ-1,2-bis(pyridin-4-yl)ethylene-κ^2^<i>N</i>:<i>N</i>']bis{μ-5-[(2-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^5^}nickel(II)] dimethylformamide disolvate hexahydrate] |
|---|---|
| Formula | C74 H80 N8 Ni2 O24 |
| Calculated formula | C74 H80 N8 Ni2 O24 |
| Title of publication | Killing two birds with one stone: 2D+2D→3D parallel stacking and 3D self-penetrating structures in one reaction and their crystal-to-crystal transformation |
| Authors of publication | Mi, Xiuna; Sheng, Dafei; Wang, Suna; Lu, Jing; Yang, Lu; Zhou, Zhen |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| a | 11.503 ± 0.0009 Å |
| b | 16.4391 ± 0.0014 Å |
| c | 20.5549 ± 0.0018 Å |
| α | 90° |
| β | 101.816 ± 0.002° |
| γ | 90° |
| Cell volume | 3804.5 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0732 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215245 (current) | 2019-05-17 | cif/ hkl/ Adding structures of 2021625, 2021626 via cif-deposit CGI script. |
2021626.cif 2021626.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.