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Information card for entry 2225807
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| Coordinates | 2225807.cif |
|---|---|
| Structure factors | 2225807.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-{2-[2-(1<i>H</i>-Benzimidazol-1-yl)ethoxy]ethyl}-1<i>H</i>- benzimidazol-3-ium hexafluorophosphate |
|---|---|
| Formula | C18 H19 F6 N4 O P |
| Calculated formula | C18 H19 F6 N4 O P |
| Title of publication | 1-{2-[2-(1<i>H</i>-Benzimidazol-1-yl)ethoxy]ethyl}-1<i>H</i>-benzimidazol-3-ium hexafluorophosphate |
| Authors of publication | Sun, Sheng-Fu; Xu, Jin; Qin, Da-Bin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 5 |
| Pages of publication | o1171 |
| a | 10.5347 ± 0.0018 Å |
| b | 13.771 ± 0.002 Å |
| c | 13.353 ± 0.002 Å |
| α | 90° |
| β | 92.507 ± 0.002° |
| γ | 90° |
| Cell volume | 1935.3 ± 0.5 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0481 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Weighted residual factors for all reflections included in the refinement | 0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181179 (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 2/22/58. |
2225807.cif 2225807.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. |
2225807.cif 2225807.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225807.cif 2225807.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. | 2225807.cif 2225807.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225807.cif 2225807.hkl |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2225807.cif 2225807.hkl |
| 1208 | 2010-06-08 | hkl/2/ Adding Fobs data for the most recent Acta Cryst. deposition. |
2225807.cif 2225807.hkl |
| 1197 | 2010-06-06 | cif/2/ Adding data from the Acta-Cryst-E-2010_05 processing directory. |
2225807.cif |
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Users of the data should acknowledge the original authors of the
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