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Information card for entry 4127137
Preview
| Coordinates | 4127137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H10 F48 Y2 |
|---|---|
| Calculated formula | C108 H10 F48 Y2 |
| Title of publication | Steering the Geometry of Butterfly-Shaped Dimetal Carbide Cluster within a Carbon Cage via Trifluoromethylation of Y2C2@C82(6). |
| Authors of publication | Jin, Fei; Tamm, Nadezhda B.; Troyanov, Sergey I.; Yang, Shangfeng |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| a | 13.191 ± 0.001 Å |
| b | 13.834 ± 0.001 Å |
| c | 44.31 ± 0.004 Å |
| α | 83.48 ± 0.01° |
| β | 86.27 ± 0.01° |
| γ | 68.57 ± 0.01° |
| Cell volume | 7475.7 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.364 |
| Residual factor for significantly intense reflections | 0.1439 |
| Weighted residual factors for significantly intense reflections | 0.3012 |
| Weighted residual factors for all reflections included in the refinement | 0.3424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 0.895 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206198 (current) | 2018-02-06 | cif/ Adding structures of 4127137 via cif-deposit CGI script. |
4127137.cif |
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Users of the data should acknowledge the original authors of the
structural data.