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Information card for entry 2231692
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| Coordinates | 2231692.cif |
|---|---|
| Structure factors | 2231692.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-benzyl-1-({4-[(3-benzyl-1H-imidazol-3-ium-1-yl)methyl]naphthalen- 1-yl}methyl)-1H-imidazol-3-ium bis(hexafluorophosphate) |
|---|---|
| Formula | C32 H30 F12 N4 P2 |
| Calculated formula | C32 H30 F12 N4 P2 |
| Title of publication | 3,3'-Dibenzyl-1,1'-[naphthalene-1,4-diylbis(methylene)]di(1<i>H</i>-imidazol-3-ium) bis(hexafluorophosphate) |
| Authors of publication | Liu, Chang-Lu; Huang, Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | o2343 |
| a | 33.825 ± 0.0009 Å |
| b | 11.6062 ± 0.0003 Å |
| c | 17.6986 ± 0.0005 Å |
| α | 90° |
| β | 101.158 ± 0.001° |
| γ | 90° |
| Cell volume | 6816.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0812 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1543 |
| Weighted residual factors for all reflections included in the refinement | 0.1631 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181238 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/16. |
2231692.cif 2231692.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231692.cif 2231692.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231692.cif 2231692.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. | 2231692.cif 2231692.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231692.cif 2231692.hkl |
| 27827 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231692 via cif-deposit CGI script. |
2231692.cif |
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Users of the data should acknowledge the original authors of the
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