Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1561295
Preview
| Coordinates | 1561295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H21 N O4 S |
|---|---|
| Calculated formula | C8 H21 N O4 S |
| Title of publication | Structure, dielectric and electric properties of diisobutylammonium hydrogen sulfate crystal |
| Authors of publication | Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Markiewicz, Ewa; Hilczer, Bożena; Pietraszko, Adam |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2018 |
| Journal volume | 258 |
| Pages of publication | 753 - 761 |
| a | 18.781 ± 0.005 Å |
| b | 8.548 ± 0.003 Å |
| c | 16.228 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2605.2 ± 1.4 Å3 |
| Cell temperature | 360 ± 0.13 K |
| Ambient diffraction temperature | 360 ± 0.13 K |
| Number of distinct elements | 5 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c e |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.2227 |
| Residual factor for significantly intense reflections | 0.1057 |
| Weighted residual factors for significantly intense reflections | 0.2841 |
| Weighted residual factors for all reflections included in the refinement | 0.3409 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.869 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263363 (current) | 2021-03-26 | cif/ Adding structures of 1561295 via cif-deposit CGI script. |
1561295.cif |
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.