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Information card for entry 1518202
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| Coordinates | 1518202.cif |
|---|
| Formula | C12 H34 Br2 Li2 O11 |
|---|---|
| Calculated formula | C12 Br2 Li2 O11 |
| SMILES | [O]12CC[O]3CC[O]4CCOCCOCC[O](CC1)[Li]2([OH2][Li]34[OH2])([OH2])[OH2].[Br-].[Br-].O |
| Title of publication | The crystal structure of 18-crown-6 complexes of hydrated lithium chloride and bromide |
| Authors of publication | Chang, Tsing-Lien; Zhao, Ming; Hu, Ning-Hai; Jin, Zhong-Sheng |
| Journal of publication | Revue de Chimie Minerale |
| Year of publication | 1987 |
| Journal volume | 24 |
| Pages of publication | 382 - 390 |
| a | 18.121 ± 0.005 Å |
| b | 9.745 ± 0.002 Å |
| c | 16.14 ± 0.003 Å |
| α | 90° |
| β | 126.74 ± 0.01° |
| γ | 90° |
| Cell volume | 2284 ± 0.9 Å3 |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518202.cif |
| 126311 | 2014-11-06 | cif/ Adding structures of 1518202 via cif-deposit CGI script. |
1518202.cif |
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Users of the data should acknowledge the original authors of the
structural data.