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Information card for entry 4001603
Preview
| Coordinates | 4001603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H28 B F4 Li O6 |
|---|---|
| Calculated formula | C12 H28 B F4 Li O6 |
| SMILES | F[B](F)(F)[F-].C[O]1CC[O]2[Li]134([O](C)CC2)[O](C)CC[O]3CC[O]4C |
| Title of publication | Crystal Structures of Poly(Ethylene Oxide)3:LiBF4and (Diglyme)n:LiBF4(n= 1,2) |
| Authors of publication | Andreev, Yuri G.; Seneviratne, Varuni; Khan, Masood; Henderson, Wesley A.; Frech, Roger E.; Bruce, Peter G. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2005 |
| Journal volume | 17 |
| Journal issue | 4 |
| Pages of publication | 767 |
| a | 10.3704 ± 0.0012 Å |
| b | 11.6816 ± 0.0013 Å |
| c | 15.3131 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1855.1 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.1005 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1407 |
| Weighted residual factors for all reflections included in the refinement | 0.1686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.