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Information card for entry 2233111
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| Coordinates | 2233111.cif |
|---|---|
| Structure factors | 2233111.hkl |
| Original IUCr paper | HTML |
| Common name | 4-Methylanilinium perchlorate‒18-crown-6 (1/1) |
|---|---|
| Chemical name | 4-Methylanilinium perchlorate‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1) |
| Formula | C19 H34 Cl N O10 |
| Calculated formula | C19 H34 Cl N O10 |
| Title of publication | 4-Methylanilinium perchlorate 18-crown-6 clathrate |
| Authors of publication | Wang, Yu-Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o185 |
| a | 15.51 ± 0.003 Å |
| b | 11.717 ± 0.002 Å |
| c | 13.014 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2365 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.075 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.12 |
| Weighted residual factors for all reflections included in the refinement | 0.1314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181253 (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 2/23/31. |
2233111.cif 2233111.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. |
2233111.cif 2233111.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233111.cif 2233111.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. | 2233111.cif 2233111.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233111.cif 2233111.hkl |
| 32165 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233111 via cif-deposit CGI script. |
2233111.cif |
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Users of the data should acknowledge the original authors of the
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