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Information card for entry 2228004
Preview
| Coordinates | 2228004.cif |
|---|---|
| Structure factors | 2228004.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,3'-Dimethyl-1,1'-(methylenedi-<i>p</i>-phenylene)diimidazolium bis(hexafluorophosphate) |
|---|---|
| Formula | C21 H22 F12 N4 P2 |
| Calculated formula | C21 H22 F12 N4 P2 |
| SMILES | n1(C)c[n+](cc1)c1ccc(cc1)Cc1ccc(n2c[n+](cc2)C)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | 3,3'-Dimethyl-1,1'-(methylenedi-<i>p</i>-phenylene)diimidazolium bis(hexafluorophosphate) |
| Authors of publication | Huang, Kun; Zhang, Ping; Qin, Da-Bin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | o2202 - o2203 |
| a | 11.5645 ± 0.0019 Å |
| b | 13.69 ± 0.002 Å |
| c | 31.188 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4937.6 ± 1.3 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0663 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1371 |
| Weighted residual factors for all reflections included in the refinement | 0.1417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181201 (current) | 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 2/22/80. |
2228004.cif 2228004.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. |
2228004.cif 2228004.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228004.cif 2228004.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. | 2228004.cif 2228004.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228004.cif 2228004.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228004.cif 2228004.hkl |
| 5041 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228004 via cif-deposit CGI script. |
2228004.cif |
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Users of the data should acknowledge the original authors of the
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