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Information card for entry 4088021
Preview
| Coordinates | 4088021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H24 F6 Ni P2 |
|---|---|
| Calculated formula | C29 H24 F6 Ni P2 |
| SMILES | [Ni]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C2(F)F |
| Title of publication | d10 Nickel Difluorocarbenes and Their Cycloaddition Reactions with Tetrafluoroethylene |
| Authors of publication | Harrison, Daniel J.; Daniels, Alex L.; Korobkov, Ilia; Baker, R. Tom |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 24 |
| Pages of publication | 5683 |
| a | 9.6422 ± 0.0006 Å |
| b | 15.7842 ± 0.001 Å |
| c | 9.7038 ± 0.0006 Å |
| α | 90° |
| β | 116.749 ± 0.0011° |
| γ | 90° |
| Cell volume | 1318.82 ± 0.14 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0209 |
| Residual factor for significantly intense reflections | 0.0201 |
| Weighted residual factors for significantly intense reflections | 0.0493 |
| Weighted residual factors for all reflections included in the refinement | 0.0496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237218 (current) | 2019-11-24 | cif/ Adding structures of 4088021 via cif-deposit CGI script. |
4088021.cif |
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Users of the data should acknowledge the original authors of the
structural data.