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Information card for entry 1556346
Preview
| Coordinates | 1556346.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (H2im)2SO4.2H2O |
|---|---|
| Chemical name | IMIDAZOLIUM SULFATE DIHYDRATE |
| Formula | C6 H14 N4 O6 S |
| Calculated formula | C6 H14 N4 O6 S |
| SMILES | c1[nH]cc[nH+]1.[O-]S(=O)(=O)[O-].O.c1[nH]cc[nH+]1.O |
| Title of publication | Accelerated aging: a low energy, solvent-free alternative to solvothermal and mechanochemical synthesis of metal–organic materials |
| Authors of publication | Cliffe, Matthew J.; Mottillo, Cristina; Stein, Robin S.; Bučar, Dejan-Krešimir; Friščić, Tomislav |
| Journal of publication | Chemical Science |
| Year of publication | 2012 |
| Journal volume | 3 |
| Journal issue | 8 |
| Pages of publication | 2495 |
| a | 7.9553 ± 0.0006 Å |
| b | 7.9553 ± 0.0006 Å |
| c | 18.7605 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1187.29 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0274 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.0701 |
| Weighted residual factors for all reflections included in the refinement | 0.0711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1556346.cif |
| 244374 | 2019-11-28 | cif/ Adding structures of 1556346 via cif-deposit CGI script. |
1556346.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.