Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4344945
Preview
Coordinates | 4344945.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Imidazolium Tin Iodide |
---|---|
Formula | C3 H5 I3 N2 Sn |
Calculated formula | C3 I3 N2.0001 Sn |
Title of publication | Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites. |
Authors of publication | Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G. |
Journal of publication | Inorganic chemistry |
Year of publication | 2017 |
Journal volume | 56 |
Journal issue | 1 |
Pages of publication | 56 - 73 |
a | 9.2735 ± 0.0013 Å |
b | 9.2735 ± 0.0013 Å |
c | 34.924 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2601 ± 0.7 Å3 |
Cell temperature | 400 K |
Ambient diffraction temperature | 400 K |
Number of distinct elements | 5 |
Space group number | 160 |
Hermann-Mauguin space group symbol | R 3 m :H |
Hall space group symbol | R 3 -2" |
Residual factor for all reflections | 0.1046 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.1223 |
Weighted residual factors for all reflections included in the refinement | 0.1267 |
Goodness-of-fit parameter for significantly intense reflections | 2.99 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.29 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4344945.html
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.