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Information card for entry 2240104
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| Coordinates | 2240104.cif |
|---|---|
| Structure factors | 2240104.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,3-Bis(2,6-diisopropylphenyl)-4,5-dimethyl-1<i>H</i>-imidazol-3-ium bromide dichloromethane disolvate |
|---|---|
| Formula | C31 H45 Br Cl4 N2 |
| Calculated formula | C31 H45 Br Cl4 N2 |
| Title of publication | Crystal structure of 1,3-bis(2,6-diisopropylphenyl)-4,5-dimethyl-1<i>H</i>-imidazol-3-ium bromide dichloromethane disolvate |
| Authors of publication | Berger, Matthias; Auner, Norbert; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | o1193 - o1194 |
| a | 10.0644 ± 0.0011 Å |
| b | 16.6082 ± 0.0017 Å |
| c | 10.7107 ± 0.0015 Å |
| α | 90° |
| β | 98.48 ± 0.01° |
| γ | 90° |
| Cell volume | 1770.7 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.1802 |
| Residual factor for significantly intense reflections | 0.1631 |
| Weighted residual factors for significantly intense reflections | 0.3826 |
| Weighted residual factors for all reflections included in the refinement | 0.3929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240104.cif 2240104.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240104.cif 2240104.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240104.cif 2240104.hkl |
| 125886 | 2014-10-26 | cif/ hkl/ Adding structures of 2240104 via cif-deposit CGI script. |
2240104.cif 2240104.hkl |
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Users of the data should acknowledge the original authors of the
structural data.