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Information card for entry 7219730
Preview
| Coordinates | 7219730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 1,8-bis(3-methylimidazolium-1-yl) |
|---|---|
| Chemical name | 1,8-bis(3-methylimidazolium-1-yl) octane tetrafluorborate |
| Formula | C16 H28 B2 F8 N4 |
| Calculated formula | C16 H28 B2 F8 N4 |
| Title of publication | Energetic and topological insights into the supramolecular structure of dicationic ionic liquids |
| Authors of publication | Frizzo, C. P.; Bender, C. R.; Tier, A. Z.; Gindri, I. M.; Salbego, P. R. S.; Meyer, A. R.; Martins, M. A. P. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 15 |
| Pages of publication | 2996 |
| a | 5.4081 ± 0.0002 Å |
| b | 15.5202 ± 0.0008 Å |
| c | 13.3407 ± 0.0006 Å |
| α | 90° |
| β | 100.649 ± 0.002° |
| γ | 90° |
| Cell volume | 1100.46 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0974 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.2104 |
| Weighted residual factors for all reflections included in the refinement | 0.2399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7219730.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7219730.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7219730.cif |
| 134911 | 2015-04-06 | cif/ Updating files of 7219730 Original log message: Adding full bibliography for 7219730.cif. |
7219730.cif |
| 133057 | 2015-03-05 | cif/ Adding structures of 7219730 via cif-deposit CGI script. |
7219730.cif |
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