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Information card for entry 4000787
Preview
| Coordinates | 4000787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | dilithium (N-methyl-N-butylpyrrolidinium) tris(bis(trifluoromethanesulfonyl)imide |
|---|---|
| Formula | C60 H80 F72 Li8 N16 O48 S24 |
| Calculated formula | C60 H80.044 F72 Li8 N16 O48 S24 |
| Title of publication | Phase Behavior of Ionic Liquid‒LiX Mixtures: Pyrrolidinium Cations and TFSI‒Anions ‒ Linking Structure to Transport Properties |
| Authors of publication | Zhou, Qian; Boyle, Paul D.; Malpezzi, Luciana; Mele, Andrea; Shin, Joon-Ho; Passerini, Stefano; Henderson, Wesley A. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2011 |
| Journal volume | 23 |
| Journal issue | 19 |
| Pages of publication | 4331 |
| a | 18.4561 ± 0.0006 Å |
| b | 19.2278 ± 0.0007 Å |
| c | 21.1756 ± 0.0009 Å |
| α | 75.381 ± 0.002° |
| β | 89.901 ± 0.002° |
| γ | 89.104 ± 0.002° |
| Cell volume | 7270.4 ± 0.5 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1482 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.0612 |
| Weighted residual factors for all reflections included in the refinement | 0.0721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.729 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4000787.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4000787.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000787.cif |
| 34957 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4000787 via cif-deposit CGI script. |
4000787.cif |
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Users of the data should acknowledge the original authors of the
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