Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2020543
Preview
| Coordinates | 2020543.cif |
|---|---|
| Structure factors | 2020543.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis(diaqua{4,4'-dichloro-2,2'-[(1,1-dimethylethane-1,2-diyl)bis(nitrilomethanylylidene)]diphenolato}manganese(III)) bis{μ-4,4'-dichloro-2,2'-[(1,1-dimethylethane-1,2-diyl)bis(nitrilomethanylylidene)]diphenolato}bis[aquamanganese(III)] tetrakis(perchlorate) ethanol disolvate |
|---|---|
| Formula | C76 H88 Cl12 Mn4 N8 O32 |
| Calculated formula | C76 H88 Cl12 Mn4 N8 O32 |
| Title of publication | X-ray characterization and magnetic properties of dioxygen-bridged Cu^II^ and Mn^III^ Schiff base complexes |
| Authors of publication | Yahsi, Yasemin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 7 |
| Pages of publication | 585 - 592 |
| a | 14.126 ± 0.003 Å |
| b | 19.394 ± 0.004 Å |
| c | 17.02 ± 0.003 Å |
| α | 90° |
| β | 91.66 ± 0.03° |
| γ | 90° |
| Cell volume | 4660.8 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.182 |
| Residual factor for significantly intense reflections | 0.0813 |
| Weighted residual factors for significantly intense reflections | 0.1547 |
| Weighted residual factors for all reflections included in the refinement | 0.1877 |
| 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 | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185019 (current) | 2016-08-05 | cif/ Updating files of 2020542, 2020543 Original log message: Adding full bibliography for 2020542--2020543.cif. |
2020543.cif 2020543.hkl |
| 183936 | 2016-06-26 | cif/ hkl/ Adding structures of 2020542, 2020543 via cif-deposit CGI script. |
2020543.cif 2020543.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.