Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1516202
Preview
| Coordinates | 1516202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 Cl N |
|---|---|
| Calculated formula | C3 Cl N |
| Title of publication | Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. |
| Authors of publication | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2011 |
| Journal volume | 115 |
| Journal issue | 41 |
| Pages of publication | 11805 - 11815 |
| a | 6.24761 ± 0.00007 Å |
| b | 6.24761 Å |
| c | 7.38691 ± 0.00019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 288.331 ± 0.008 Å3 |
| Number of distinct elements | 3 |
| Space group number | 129 |
| Hermann-Mauguin space group symbol | P 4/n m m :2 |
| Hall space group symbol | -P 4a 2a |
| RFsqd | 0.15173 |
| Goodness-of-fit parameter for all reflections | 1.48 |
| 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 |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1516202.cif |
| 114247 | 2014-05-23 | cif/ Adding structures of 1516202 via cif-deposit CGI script. |
1516202.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.