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Information card for entry 4127138
Preview
| Coordinates | 4127138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C107 H8 F48 Y2 |
|---|---|
| Calculated formula | C107 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 | 12.738 ± 0.001 Å |
| b | 16.51 ± 0.001 Å |
| c | 20.667 ± 0.002 Å |
| α | 74.73 ± 0.01° |
| β | 82.24 ± 0.01° |
| γ | 75.14 ± 0.01° |
| Cell volume | 4042.1 ± 0.6 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 | 0.2298 |
| Residual factor for significantly intense reflections | 0.1059 |
| Weighted residual factors for significantly intense reflections | 0.2345 |
| Weighted residual factors for all reflections included in the refinement | 0.27 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.895 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206199 (current) | 2018-02-06 | cif/ Adding structures of 4127138 via cif-deposit CGI script. |
4127138.cif |
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Users of the data should acknowledge the original authors of the
structural data.