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Information card for entry 2022509
Preview
| Coordinates | 2022509.cif |
|---|---|
| Structure factors | 2022509.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[aqua[μ~3~-2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)benzoato-κ^3^<i>N</i>^4^:<i>N</i>^4'^:<i>O</i>]chloridomanganese(II)] monohydrate] |
|---|---|
| Formula | C11 H11 Cl Mn N6 O4 |
| Calculated formula | C11 H11 Cl Mn N6 O4 |
| Title of publication | A three-dimensional manganese(II) coordination polymer with two functional properties: magnetism and photochemical detection |
| Authors of publication | Zhao, Dan; An, Yanyan; Guo, Tingting; Yan, Juanzhi; Song, Danmei |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 12 |
| Pages of publication | 782 - 789 |
| a | 11.0241 ± 0.0014 Å |
| b | 18.827 ± 0.003 Å |
| c | 6.881 ± 0.0011 Å |
| α | 90° |
| β | 92.816 ± 0.004° |
| γ | 90° |
| Cell volume | 1426.4 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0936 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271883 (current) | 2022-01-07 | cif/ hkl/ Adding structures of 2022509 via cif-deposit CGI script. |
2022509.cif 2022509.hkl |
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Users of the data should acknowledge the original authors of the
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