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Information card for entry 7125437
Preview
| Coordinates | 7125437.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45.5 H52.5 B2 Cl7.5 F3 N13 O7 S W2 |
|---|---|
| Calculated formula | C45.5 H52.5 B2 Cl7.5 F3 N13 O7 S W2 |
| Title of publication | Synthesis of pyridyl carbyne complexes and their conversion to N-heterocyclic vinylidenes |
| Authors of publication | Hill, Anthony; Frogley, Benjamin |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 13.6197 ± 0.0004 Å |
| b | 18.3015 ± 0.0008 Å |
| c | 26.901 ± 0.0009 Å |
| α | 88.518 ± 0.003° |
| β | 76.527 ± 0.003° |
| γ | 70.518 ± 0.003° |
| Cell volume | 6137.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.0844 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1827 |
| Weighted residual factors for all reflections included in the refinement | 0.1943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243756 (current) | 2019-11-27 | cif/ Adding structures of 7125433, 7125434, 7125435, 7125436, 7125437, 7125438, 7125439 via cif-deposit CGI script. |
7125437.cif |
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Users of the data should acknowledge the original authors of the
structural data.