Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4003239
Preview
| Coordinates | 4003239.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H26 I8 N4 O2 Pb3 |
|---|---|
| Calculated formula | C8 H26 I8 N4 O2 Pb3 |
| Title of publication | Red-to-Black Piezochromism in a Compressible Pb‒I‒SCN Layered Perovskite |
| Authors of publication | Umeyama, Daiki; Lin, Yu; Karunadasa, Hemamala I. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2016 |
| Journal volume | 28 |
| Journal issue | 10 |
| Pages of publication | 3241 |
| a | 17.1512 ± 0.0006 Å |
| b | 21.8564 ± 0.0007 Å |
| c | 4.5358 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1700.31 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 58 |
| Hermann-Mauguin space group symbol | P n n m |
| Hall space group symbol | -P 2 2n |
| Residual factor for all reflections | 0.0255 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.0459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231455 (current) | 2019-11-22 | cif/ Adding structures of 4003239 via cif-deposit CGI script. |
4003239.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.