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Information card for entry 4086999
Preview
| Coordinates | 4086999.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C101 H180 F4 Fe4 N8 O2 Sc4 Si8 |
|---|---|
| Calculated formula | C101 H180 F4 Fe4 N8 O2 Sc4 Si8 |
| Title of publication | Aromatic C–F Bond Activation by Rare-Earth-Metal Complexes |
| Authors of publication | Huang, Wenliang; Diaconescu, Paula L. |
| Journal of publication | Organometallics |
| Year of publication | 2017 |
| Journal volume | 36 |
| Journal issue | 1 |
| Pages of publication | 89 |
| a | 11.534 ± 0.003 Å |
| b | 13.143 ± 0.003 Å |
| c | 20.525 ± 0.005 Å |
| α | 71.835 ± 0.002° |
| β | 87.753 ± 0.002° |
| γ | 79.358 ± 0.002° |
| Cell volume | 2904.9 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0606 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4086999.cif |
| 191292 | 2017-02-04 | cif/ Adding structures of 4086999, 4087000, 4087001, 4087002 via cif-deposit CGI script. |
4086999.cif |
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Users of the data should acknowledge the original authors of the
structural data.