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Information card for entry 7125548
Preview
| Coordinates | 7125548.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H16.5 Fe0.5 O9 S1.5 |
|---|---|
| Calculated formula | C6 H16.5 Fe0.5 O9 S1.5 |
| Title of publication | Supramolecular encapsulation of hexaaquo metal ions by second sphere coordination |
| Authors of publication | Dalrymple, Sean A.; Parvez, Masood; Shimizu, George K. H. |
| Journal of publication | Chemical Communications |
| Year of publication | 2001 |
| Journal issue | 24 |
| Pages of publication | 2672 |
| a | 13.979 ± 0.002 Å |
| b | 13.979 Å |
| c | 23.869 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4039.4 ± 0.8 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0411 |
| Residual factor for significantly intense reflections | 0.0276 |
| Weighted residual factors for significantly intense reflections | 0.0726 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244006 (current) | 2019-11-28 | cif/ Adding structures of 7125548 via cif-deposit CGI script. |
7125548.cif |
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Users of the data should acknowledge the original authors of the
structural data.