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Information card for entry 4128118
Preview
| Coordinates | 4128118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C196 H180 Fe4 N63 O37.17 P4.67 S4 |
|---|---|
| Calculated formula | C196 H138 Fe4 N63 O29.1667 P4.66667 S2 |
| Title of publication | Post-assembly Modification of Phosphine Cages Controls Host-Guest Behavior. |
| Authors of publication | McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 17 |
| Pages of publication | 6837 - 6842 |
| a | 42.046 ± 0.0001 Å |
| b | 42.046 ± 0.0001 Å |
| c | 107.4786 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 164552 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.1191 |
| Residual factor for significantly intense reflections | 0.1045 |
| Weighted residual factors for significantly intense reflections | 0.3225 |
| Weighted residual factors for all reflections included in the refinement | 0.3396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.306 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221248 (current) | 2019-11-03 | cif/ Adding structures of 4128118 via cif-deposit CGI script. |
4128118.cif |
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Users of the data should acknowledge the original authors of the
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