Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2108792
Preview
| Coordinates | 2108792.cif |
|---|---|
| Structure factors | 2108792.hkl |
| Original paper (by DOI) | HTML |
| Common name | Imidazolium hexa-aqua-aluminium disulphate |
|---|---|
| Formula | C3 H17 Al N2 O14 S2 |
| Calculated formula | C3 H16.9998 Al N1.9998 O14 S2 |
| Title of publication | Structure, ferroelasticity and Goldilocks zone phase transitions in C~3~H~5~N~2~Al(SO~4~)~2~·6H~2~O |
| Authors of publication | Zarychta, Bartosz; Czapla, Zbigniew; Przesławski, Janusz; Szklarz, Przemysław |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 2 |
| a | 6.868 ± 0.0004 Å |
| b | 6.868 ± 0.0004 Å |
| c | 9.1617 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 374.25 ± 0.05 Å3 |
| Cell temperature | 350 ± 0.1 K |
| Ambient diffraction temperature | 350 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 164 |
| Hermann-Mauguin space group symbol | P -3 m 1 |
| Hall space group symbol | -P 3 2" |
| Residual factor for all reflections | 0.0365 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263024 (current) | 2021-03-13 | cif/ hkl/ Adding structures of 2108790, 2108791, 2108792 via cif-deposit CGI script. |
2108792.cif 2108792.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.