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Information card for entry 4001213
Preview
| Coordinates | 4001213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H84 As3 F18 Li3 O20 |
|---|---|
| Calculated formula | C40 H84 As3 F18 Li3 O20 |
| SMILES | [As](F)(F)(F)(F)([F-])F.[As](F)(F)(F)(F)([F-])F.[As](F)(F)(F)([F-])(F)F.C[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC[O](CCOCC[O]6CC[O]7CC[O](C)[Li]8967[O](CCOC)CC[O]9CC[O]8CC[O]6CC[O]7CC[O]8CC[O]9CC[O]%10CC[O](C)[Li]6789%10)[Li]12345 |
| Title of publication | Structure and Conductivity of Small-Molecule Electrolytes [CH3O(CH2CH2O)nCH3]:LiAsF6(n= 8−12) |
| Authors of publication | Zhang, Chuhong; Lilley, Scott J.; Ainsworth, David; Staunton, Edward; Andreev, Yuri G.; Slawin, Alexandra M. Z.; Bruce, Peter G. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2008 |
| Journal volume | 20 |
| Journal issue | 12 |
| Pages of publication | 4039 |
| a | 9.2197 ± 0.0014 Å |
| b | 9.3713 ± 0.0014 Å |
| c | 35.083 ± 0.006 Å |
| α | 82.412 ± 0.011° |
| β | 84.302 ± 0.012° |
| γ | 87.731 ± 0.01° |
| Cell volume | 2988.7 ± 0.8 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.1823 |
| Residual factor for significantly intense reflections | 0.1298 |
| Weighted residual factors for significantly intense reflections | 0.2635 |
| Weighted residual factors for all reflections included in the refinement | 0.2924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001213.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001213.cif |
| 41918 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4001213 via cif-deposit CGI script. |
4001213.cif |
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