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Information card for entry 7226964
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| Coordinates | 7226964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C140 H228 Cl O144 S20 Yb7 |
|---|---|
| Calculated formula | C140 H80 Cl O144 S20 Yb7 |
| 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 | 15.3316 ± 0.0006 Å |
| b | 19.0247 ± 0.0005 Å |
| c | 21.5272 ± 0.0009 Å |
| α | 78.723 ± 0.003° |
| β | 71.13 ± 0.004° |
| γ | 73.949 ± 0.003° |
| Cell volume | 5670.9 ± 0.4 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 | 0.2174 |
| Residual factor for significantly intense reflections | 0.1521 |
| Weighted residual factors for significantly intense reflections | 0.3364 |
| Weighted residual factors for all reflections included in the refinement | 0.368 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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. |
7226964.cif |
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Users of the data should acknowledge the original authors of the
structural data.