Test Crystallography Open Database
- TESTCOD Home
- Accessing TESTCOD Data
- Add Your Data
- Documentation
Information card for entry 1000039
Preview
| Coordinates | 1000039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H8 Cl N |
|---|---|
| Calculated formula | C2 H8 Cl N |
| Title of publication | Thermal and Structural Properties of Ethylammonium Chloride and Its Mixture with Water |
| Authors of publication | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero |
| Journal of publication | The Journal of Physical Chemistry B |
| Year of publication | 2011 |
| Journal volume | 115 |
| Journal issue | 17 |
| Pages of publication | 4887 - 4899 |
| a | 8.25578 ± 0.00014 Å |
| b | 6.00157 ± 0.00008 Å |
| c | 4.56351 ± 0.00007 Å |
| α | 90° |
| β | 94.1741 ± 0.0014° |
| γ | 90° |
| Cell volume | 225.511 ± 0.006 Å3 |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| RFsqd | 0.07069 |
| Goodness-of-fit parameter for all reflections | 1.43 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | Kα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1330 (current) | 2025-07-01 | cif/ Adding structures of 1000039 via cif-deposit CGI script. |
1000039.cif |
All data in the TESTCOD 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.