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Information card for entry 4128117
Preview
| Coordinates | 4128117.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C177.5 H139.5 F4.5 I9 N49.25 O4.5 P4 S1.5 Zn6 |
|---|---|
| Calculated formula | C177.5 H136.5 F4.5 I9 N49.25 O4.5 P4 S1.5 Zn6 |
| 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 | 21.166 ± 0.0004 Å |
| b | 21.8072 ± 0.0004 Å |
| c | 35.8636 ± 0.0007 Å |
| α | 90.804 ± 0.002° |
| β | 102.438 ± 0.002° |
| γ | 104.311 ± 0.002° |
| Cell volume | 15623.8 ± 0.6 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 | 0.15 |
| Residual factor for significantly intense reflections | 0.1265 |
| Weighted residual factors for significantly intense reflections | 0.351 |
| Weighted residual factors for all reflections included in the refinement | 0.3638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221247 (current) | 2019-11-03 | cif/ Adding structures of 4128117 via cif-deposit CGI script. |
4128117.cif |
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