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Information card for entry 2022317
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| Coordinates | 2022317.cif |
|---|---|
| Structure factors | 2022317.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{μ-2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]diethanol}bis[dithiocyanatomanganese(II)] |
|---|---|
| Formula | C26 H30 Mn2 N10 O4 S4 |
| Calculated formula | C26 H30 Mn2 N10 O4 S4 |
| SMILES | C(C[N]1=Cc2cccc3C=[N]4[Mn]1([n]23)(N=C=S)(N=C=S)[OH]CC[N]1=Cc2cccc3C=[N](CCO)[Mn]1([n]23)(N=C=S)(N=C=S)[OH]CC4)O |
| 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 | 7.2639 ± 0.0012 Å |
| b | 24.655 ± 0.004 Å |
| c | 9.471 ± 0.0016 Å |
| α | 90° |
| β | 98.994 ± 0.003° |
| γ | 90° |
| Cell volume | 1675.3 ± 0.5 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 | 0.0585 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
2022317.cif 2022317.hkl |
| 261053 | 2021-01-19 | cif/ hkl/ Adding structures of 2022315, 2022316, 2022317, 2022318, 2022319, 2022320, 2022321 via cif-deposit CGI script. |
2022317.cif 2022317.hkl |
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Users of the data should acknowledge the original authors of the
structural data.