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Information card for entry 1567607
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| Coordinates | 1567607.cif |
|---|---|
| Structure factors | 1567607.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Methyl-5-nitroimidazolium chloride |
|---|---|
| Formula | C4 H6 Cl N3 O2 |
| Calculated formula | C4 H6 Cl N3 O2 |
| Title of publication | 1-Methyl-5-nitroimidazolium chloride |
| Authors of publication | Bellia, Sophia; Anderson, Grace; Zeller, Matthias; Mirjafari, Arsalan; Hillesheim, Patrick C. |
| Journal of publication | IUCrData |
| Year of publication | 2022 |
| Journal volume | 7 |
| Journal issue | 9 |
| Pages of publication | x220878 |
| a | 6.3498 ± 0.0005 Å |
| b | 9.8991 ± 0.0009 Å |
| c | 11.5969 ± 0.001 Å |
| α | 90° |
| β | 105.817 ± 0.003° |
| γ | 90° |
| Cell volume | 701.35 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 149.98 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 | 0.0275 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0702 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277752 (current) | 2022-09-09 | cif/ hkl/ Adding structures of 1567607 via cif-deposit CGI script. |
1567607.cif 1567607.hkl |
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