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Information card for entry 2228861
Preview
| Coordinates | 2228861.cif |
|---|---|
| Structure factors | 2228861.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | 1,3-Bis[(3-allylimidazol-3-ium-1-yl)methyl]benzene bis(hexafluoridophosphate) |
|---|---|
| Chemical name | 3,3'-Diallyl-1,1'-[<i>m</i>-phenylenebis(methylidene)]diimidazol-3-ium bis(hexafluoridophosphate) |
| Formula | C20 H24 F12 N4 P2 |
| Calculated formula | C20 H24 F12 N4 P2 |
| Title of publication | 1,3-Bis[(3-allylimidazol-3-ium-1-yl)methyl]benzene bis(hexafluoridophosphate) |
| Authors of publication | Haque, Rosenani A.; Ghdhayeb, Mohammed Z.; Abdallah, Hassan H.; Quah, Ching Kheng; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | o80 - o81 |
| a | 9.8748 ± 0.0004 Å |
| b | 9.9098 ± 0.0003 Å |
| c | 26.124 ± 0.001 Å |
| α | 90° |
| β | 101.138 ± 0.002° |
| γ | 90° |
| Cell volume | 2508.27 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 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 | 0.1236 |
| Residual factor for significantly intense reflections | 0.1079 |
| Weighted residual factors for significantly intense reflections | 0.1947 |
| Weighted residual factors for all reflections included in the refinement | 0.2011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2228861.cif 2228861.hkl |
| 181209 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/88. |
2228861.cif 2228861.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228861.cif 2228861.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228861.cif 2228861.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228861.cif 2228861.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228861.cif 2228861.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228861.cif 2228861.hkl |
| 10090 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228861 via cif-deposit CGI script. |
2228861.cif |
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Users of the data should acknowledge the original authors of the
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