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Information card for entry 4347803
Preview
| Coordinates | 4347803.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82.25 H86 Dy Mn3 N9 O17 |
|---|---|
| Calculated formula | C82.278 H85.834 Dy Mn3 N8.722 O17 |
| Title of publication | Effect of the Mn Oxidation State on Single-Molecule-Magnet Properties: Mn(III) vs Mn(IV) in Biologically Inspired DyMn3O4 Cubanes. |
| Authors of publication | Lin, Po-Heng; Tsui, Emily Y.; Habib, Fatemah; Murugesu, Muralee; Agapie, Theodor |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 12 |
| Pages of publication | 6095 - 6099 |
| a | 17.8964 ± 0.0006 Å |
| b | 16.8161 ± 0.0005 Å |
| c | 27.7199 ± 0.0009 Å |
| α | 90° |
| β | 108.061 ± 0.002° |
| γ | 90° |
| Cell volume | 7931.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0345 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0989 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.578 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232510 (current) | 2019-11-23 | cif/ Adding structures of 4347803 via cif-deposit CGI script. |
4347803.cif |
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