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Information card for entry 2022321
Preview
| Coordinates | 2022321.cif |
|---|---|
| Structure factors | 2022321.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Dimethylformamide){2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]bis(butan-1-ol)}dithiocyanatomanganese(II) dimethylformamide monosolvate |
|---|---|
| Formula | C23 H37 Mn N7 O4 S2 |
| Calculated formula | C23 H37 Mn N7 O4 S2 |
| SMILES | [Mn]12([N]([C@@H](CC)CO)=Cc3cccc([n]13)C=[N]2[C@H](CC)CO)(N=C=S)(N=C=S)[O]=CN(C)C.O=CN(C)C |
| Title of publication | Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies |
| Authors of publication | McKee, Vickie; Kose, Muhammet |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 2 |
| Pages of publication | 100 - 110 |
| a | 14.9551 ± 0.0012 Å |
| b | 11.0509 ± 0.0009 Å |
| c | 18.4767 ± 0.0014 Å |
| α | 90° |
| β | 100.043 ± 0.001° |
| γ | 90° |
| Cell volume | 3006.8 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0664 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1207 |
| Weighted residual factors for all reflections included in the refinement | 0.1392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262762 (current) | 2021-03-05 | cif/ Updating files of 2022315, 2022316, 2022317, 2022318, 2022319, 2022320, 2022321 Original log message: Adding full bibliography for 2022315--2022321.cif. |
2022321.cif 2022321.hkl |
| 261053 | 2021-01-19 | cif/ hkl/ Adding structures of 2022315, 2022316, 2022317, 2022318, 2022319, 2022320, 2022321 via cif-deposit CGI script. |
2022321.cif 2022321.hkl |
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Users of the data should acknowledge the original authors of the
structural data.