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Information card for entry 7125595
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| Coordinates | 7125595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C160 H174 F3 Fe4 N28 O51 S12.5 |
|---|---|
| Calculated formula | C72 H48 F1.52 Fe2 N12 O18 S6.25 |
| Title of publication | Encapsulation, storage and controlled release of sulfur hexafluoride from a metal-organic capsule. |
| Authors of publication | Riddell, Imogen A.; Smulders, Maarten M. J.; Clegg, Jack K.; Nitschke, Jonathan R. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2011 |
| Journal volume | 47 |
| Journal issue | 1 |
| Pages of publication | 457 - 459 |
| a | 33.788 ± 0.012 Å |
| b | 33.788 ± 0.007 Å |
| c | 39.938 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 39486 ± 18 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 165 |
| Hermann-Mauguin space group symbol | P -3 c 1 |
| Hall space group symbol | -P 3 2"c |
| Residual factor for all reflections | 0.1596 |
| Residual factor for significantly intense reflections | 0.1335 |
| Weighted residual factors for significantly intense reflections | 0.3527 |
| Weighted residual factors for all reflections included in the refinement | 0.369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.343 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244114 (current) | 2019-11-28 | cif/ Adding structures of 7125595 via cif-deposit CGI script. |
7125595.cif |
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Users of the data should acknowledge the original authors of the
structural data.