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Information card for entry 1518449
Preview
| Coordinates | 1518449.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis(m6-h5:h6:h6:h6:h6:h6-Corannulene)- -bis(diglyme)-bis(diglyme)- -tetra-lithium-tetra-rubidium- tetrahydrofuran solvate |
|---|---|
| Formula | C66 H80 Li3 O12.5 Rb5 |
| Calculated formula | C66 H80 Li3 O12.5 Rb5 |
| Title of publication | Self-assembly of tetrareduced corannulene with mixed Li‒Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts |
| Authors of publication | Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 1959 |
| a | 10.064 ± 0.003 Å |
| b | 15.27 ± 0.004 Å |
| c | 22.129 ± 0.006 Å |
| α | 90.416 ± 0.003° |
| β | 93.102 ± 0.003° |
| γ | 94.532 ± 0.004° |
| Cell volume | 3384.9 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1703 |
| Residual factor for significantly intense reflections | 0.0977 |
| Weighted residual factors for significantly intense reflections | 0.215 |
| Weighted residual factors for all reflections included in the refinement | 0.2399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1518449.cif |
| 133125 | 2015-03-06 | cif/ Updating files of 1518448, 1518449 Original log message: Adding full bibliography for 1518448--1518449.cif. |
1518449.cif |
| 128791 | 2014-12-17 | cif/ Adding structures of 1518448, 1518449 via cif-deposit CGI script. |
1518449.cif |
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Users of the data should acknowledge the original authors of the
structural data.