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Information card for entry 4000209
Preview
| Coordinates | 4000209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 Cd F12 O8 |
|---|---|
| Calculated formula | C18 H20 Cd F12 O8 |
| SMILES | C[O]1CC[O]2CC[O]3[Cd]4512(OC(C(F)(F)F)=CC(=[O]5)C(F)(F)F)(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)[O](C)CC3 |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2002 |
| a | 11.694 ± 0.004 Å |
| b | 14.972 ± 0.006 Å |
| c | 15.561 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2724.5 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P c 21 n |
| Hall space group symbol | P -2n -2ac |
| Residual factor for all reflections | 0.0587 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1224 |
| Weighted residual factors for all reflections included in the refinement | 0.1399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.