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Information card for entry 1548763
Preview
| Coordinates | 1548763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H55 Mn3 N8 O15 Sr |
|---|---|
| Calculated formula | C69 H55 Mn3 N8 O15 Sr |
| Title of publication | Reduction potentials of heterometallic manganese-oxido cubane complexes modulated by redox-inactive metals |
| Authors of publication | Emily Y. Tsui; Theodor Agapie |
| Journal of publication | Proceedings of the National Academy of Sciences of the United States of America |
| Year of publication | 2013 |
| Journal volume | 110 |
| Pages of publication | 10084 - 10088 |
| a | 14.4394 ± 0.0009 Å |
| b | 14.5514 ± 0.0009 Å |
| c | 18.0485 ± 0.0011 Å |
| α | 80.763 ± 0.003° |
| β | 71.236 ± 0.003° |
| γ | 73.47 ± 0.003° |
| Cell volume | 3432.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1165 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1569 |
| Weighted residual factors for all reflections included in the refinement | 0.1691 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.186 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205537 (current) | 2018-01-24 | cif/ Adding structures of 1548763 via cif-deposit CGI script. |
1548763.cif |
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Users of the data should acknowledge the original authors of the
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