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Information card for entry 2021050
Preview
| Coordinates | 2021050.cif |
|---|---|
| Structure factors | 2021050.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[μ~2~-aqua-triaqua{μ~4~-5-[4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato}{μ~3~-5-[4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato}dicobalt(II)] |
|---|---|
| Formula | C32 H28 Co2 O18 |
| Calculated formula | C32 H28 Co2 O18 |
| Title of publication | A three-dimensional twofold interpenetrated cobalt(II) MOF containing a flexible carboxylate-based ligand: synthesis, structure and magnetic properties |
| Authors of publication | An, Yan-Yan; Lu, Li-Ping; Zhu, Miao-Li |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 4 |
| a | 10.7964 ± 0.0005 Å |
| b | 10.9649 ± 0.0006 Å |
| c | 14.3692 ± 0.0007 Å |
| α | 96.412 ± 0.002° |
| β | 110.682 ± 0.002° |
| γ | 92.9 ± 0.002° |
| Cell volume | 1574.03 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0282 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0661 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206837 (current) | 2018-03-08 | cif/ hkl/ Adding structures of 2021050 via cif-deposit CGI script. |
2021050.cif 2021050.hkl |
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Users of the data should acknowledge the original authors of the
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