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Information card for entry 7103776
Preview
| Coordinates | 7103776.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 1-butyl-3-methylimidazolium chloride |
|---|---|
| Chemical name | 1-butyl-3-methylimidazolium chloride |
| Formula | C8 H15 Cl N2 |
| Calculated formula | C8 H15 Cl N2 |
| SMILES | [Cl-].n1(c[n+](cc1)C)CCCC |
| Title of publication | Crystal polymorphism in 1-butyl-3-methlimidazolium halides: supporting ionic liquid formation by inhibition of crystallisation |
| Authors of publication | John D. Holbrey; W. Matthew Reichert; Mark Nieuwenhuyzen; Suzanne Johnson; Kenneth R. Seddon; Robin D. Rogers |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2003 |
| Journal issue | 14 |
| Pages of publication | 1636 - 1637 |
| a | 9.943 ± 0.009 Å |
| b | 11.481 ± 0.01 Å |
| c | 9.658 ± 0.009 Å |
| α | 90° |
| β | 118.74 ± 0.015° |
| γ | 90° |
| Cell volume | 966.6 ± 1.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0292 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections included in the refinement | 0.0746 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7103776.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7103776.cif |
| 180140 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/37. |
7103776.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7103776.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7103776.cif |
| 1014 | 2010-02-26 | cif/4/, cif/7/ 1. Removed _ccdc_* tags from the few remaining COD entries. 2. Fixed bibliography in those entries. 3. Fixed _symmetry_cell_setting tag values (all values are now lowercase as required by the cif_core.dict dictionary). |
7103776.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7103776.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7103776.cif |
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Users of the data should acknowledge the original authors of the
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