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Information card for entry 7112117
Preview
| Coordinates | 7112117.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H86 Ce2 F30 N6 O7 Si6 |
|---|---|
| Calculated formula | C70 H86 Ce2 F30 N6 O7 Si6 |
| Title of publication | k^2^-Coordination of 18-crown-6 to Ce(III) cations: solution dynamics and reactivity |
| Authors of publication | Haolin Yin; Jerome R. Robinson; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 3470 |
| a | 12.193 ± 0.0016 Å |
| b | 18.164 ± 0.003 Å |
| c | 40.779 ± 0.006 Å |
| α | 90° |
| β | 95.641 ± 0.006° |
| γ | 90° |
| Cell volume | 8988 ± 2 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 7 |
| 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 | 0.0448 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.181 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.