Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022320
Preview
| Coordinates | 2022320.cif |
|---|---|
| Structure factors | 2022320.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Dimethylformamide){2,2'-dimethyl-2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]bis(propan-1-ol)}dithiocyanatomanganese(II) |
|---|---|
| Formula | C20 H30 Mn N6 O3 S2 |
| Calculated formula | C20 H30 Mn N6 O3 S2 |
| SMILES | [Mn]1234([OH]CC(C)(C)[N]1=Cc1cccc([n]21)C=[N]3C(C)(C)C[OH]4)(N=C=S)N=C=S.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 | 8.5916 ± 0.0004 Å |
| b | 8.2974 ± 0.0004 Å |
| c | 35.1501 ± 0.0018 Å |
| α | 90° |
| β | 91.731 ± 0.001° |
| γ | 90° |
| Cell volume | 2504.6 ± 0.2 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 | 0.0398 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0762 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| 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. |
2022320.cif 2022320.hkl |
| 261053 | 2021-01-19 | cif/ hkl/ Adding structures of 2022315, 2022316, 2022317, 2022318, 2022319, 2022320, 2022321 via cif-deposit CGI script. |
2022320.cif 2022320.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.