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Information card for entry 2021625
Preview
| Coordinates | 2021625.cif |
|---|---|
| Structure factors | 2021625.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[aqua[μ-1,2-bis(pyridin-4-yl)ethylene-κ^2^<i>N</i>:<i>N</i>']{μ-5-[(2-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^}nickel(II)] dimethylformamide hemisolvate monohydrate] |
|---|---|
| Formula | C29.5 H27.5 N2.5 Ni O9.5 |
| Calculated formula | C29.5 H27.5 N2.5 Ni O9.5 |
| 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 | 10.27 ± 0.0008 Å |
| b | 11.9701 ± 0.0009 Å |
| c | 12.5459 ± 0.0011 Å |
| α | 90.821 ± 0.001° |
| β | 91.089 ± 0.001° |
| γ | 92.278 ± 0.002° |
| Cell volume | 1540.6 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1036 |
| Residual factor for significantly intense reflections | 0.0792 |
| Weighted residual factors for significantly intense reflections | 0.2162 |
| Weighted residual factors for all reflections included in the refinement | 0.2338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215245 (current) | 2019-05-17 | cif/ hkl/ Adding structures of 2021625, 2021626 via cif-deposit CGI script. |
2021625.cif 2021625.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.