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Information card for entry 7228643
Preview
| Coordinates | 7228643.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H14 F3 N3 |
|---|---|
| Calculated formula | C19 H14 F3 N3 |
| SMILES | C(=Nc1c(cccc1)F)(Nc1c(cccc1)F)Nc1c(cccc1)F |
| Title of publication | Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH–etherification |
| Authors of publication | Kumar, Robin; Thirupathi, Natesan |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 54 |
| Pages of publication | 33890 |
| a | 16.3388 ± 0.0019 Å |
| b | 11.4902 ± 0.001 Å |
| c | 8.9282 ± 0.0008 Å |
| α | 90° |
| β | 98.731 ± 0.009° |
| γ | 90° |
| Cell volume | 1656.7 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1245 |
| Residual factor for significantly intense reflections | 0.0958 |
| Weighted residual factors for significantly intense reflections | 0.2595 |
| Weighted residual factors for all reflections included in the refinement | 0.282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7228643.cif |
| 198507 | 2017-07-06 | cif/ Adding structures of 7228643, 7228644, 7228645, 7228646, 7228647, 7228648, 7228649, 7228650, 7228651, 7228652, 7228653 via cif-deposit CGI script. |
7228643.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.