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Information card for entry 2237253
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| Coordinates | 2237253.cif |
|---|---|
| Structure factors | 2237253.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>,2,4,6-Pentamethylanilinium hexafluorophosphate |
|---|---|
| Formula | C11 H18 F6 N P |
| Calculated formula | C11 H18 F6 N P |
| SMILES | [P](F)(F)(F)(F)(F)[F-].[NH+](c1c(cc(cc1C)C)C)(C)C |
| Title of publication | <i>N</i>,<i>N</i>,2,4,6-Pentamethylanilinium hexafluorophosphate |
| Authors of publication | Zhang, Yuan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | o31 |
| a | 11.466 ± 0.002 Å |
| b | 8.2439 ± 0.0016 Å |
| c | 15.559 ± 0.003 Å |
| α | 90° |
| β | 97.82 ± 0.03° |
| γ | 90° |
| Cell volume | 1457 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1123 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.158 |
| Weighted residual factors for all reflections included in the refinement | 0.1862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181294 (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 2/23/72. |
2237253.cif 2237253.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. |
2237253.cif 2237253.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237253.cif 2237253.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. | 2237253.cif 2237253.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237253.cif 2237253.hkl |
| 73484 | 2013-02-20 | cif/ Adding structures of 2237253 via cif-deposit CGI script. |
2237253.cif |
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Users of the data should acknowledge the original authors of the
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