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Information card for entry 4128119
Preview
| Coordinates | 4128119.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C228.5 H186.75 F13.5 I8.5 N53 Ni5.1 O9 P4 S4.5 |
|---|---|
| Calculated formula | C228.5 H186.75 F13.5 I8.5 N53 Ni5.1 O9 P4 S4.5 |
| 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 | 21.1855 ± 0.0002 Å |
| b | 24.1723 ± 0.0002 Å |
| c | 33.8253 ± 0.0003 Å |
| α | 89.961 ± 0.001° |
| β | 84.215 ± 0.001° |
| γ | 65.895 ± 0.001° |
| Cell volume | 15715.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1093 |
| Residual factor for significantly intense reflections | 0.0901 |
| Weighted residual factors for significantly intense reflections | 0.2854 |
| Weighted residual factors for all reflections included in the refinement | 0.3003 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221249 (current) | 2019-11-03 | cif/ Adding structures of 4128119 via cif-deposit CGI script. |
4128119.cif |
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Users of the data should acknowledge the original authors of the
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