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Information card for entry 7226965
Preview
| Coordinates | 7226965.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C179 H236 Cl2 O135 S20 Yb4.67 |
|---|---|
| Calculated formula | C179 H112 Cl2 O135 S20 Yb4.6666 |
| Title of publication | Functional heterocyclic molecular inclusion in p-sulfonatocalix[5]arene and lanthanide(iii) complexes |
| Authors of publication | Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 104 |
| Pages of publication | 102695 |
| a | 17.214 ± 0.003 Å |
| b | 18.887 ± 0.007 Å |
| c | 20.574 ± 0.003 Å |
| α | 77.93 ± 0.02° |
| β | 70.96 ± 0.01° |
| γ | 75.49 ± 0.02° |
| Cell volume | 6062 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1989 |
| Residual factor for significantly intense reflections | 0.147 |
| Weighted residual factors for significantly intense reflections | 0.3627 |
| Weighted residual factors for all reflections included in the refinement | 0.3914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187683 (current) | 2016-10-29 | cif/ Adding structures of 7226964, 7226965, 7226966 via cif-deposit CGI script. |
7226965.cif |
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Users of the data should acknowledge the original authors of the
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