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Information card for entry 2020880
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| Coordinates | 2020880.cif |
|---|---|
| Structure factors | 2020880.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(methanol-κ<i>O</i>)bis[5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^2^<i>N</i>^1^,<i>O</i>]manganese(II) |
|---|---|
| Formula | C22 H24 Mn N10 O4 |
| Calculated formula | C22 H24 Mn N10 O4 |
| SMILES | [Mn]12(n3nnnc3NC(=[O]1)/C=C/c1ccccc1)([O]=C(Nc1nnnn21)/C=C/c1ccccc1)([OH]C)[OH]C |
| Title of publication | Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures |
| Authors of publication | Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| a | 5.9328 ± 0.0012 Å |
| b | 10.245 ± 0.002 Å |
| c | 10.853 ± 0.002 Å |
| α | 105.33 ± 0.03° |
| β | 103.2 ± 0.03° |
| γ | 94 ± 0.03° |
| Cell volume | 613.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0625 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205156 (current) | 2018-01-13 | cif/ hkl/ Adding structures of 2020880, 2020881, 2020882 via cif-deposit CGI script. |
2020880.cif 2020880.hkl |
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Users of the data should acknowledge the original authors of the
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