Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7044701
Preview
| Coordinates | 7044701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H14 Cl3 K N2 O12 |
|---|---|
| Calculated formula | C5 H14 Cl3 K N2 O12 |
| Title of publication | Distinct room-temperature dielectric transition in a perchlorate-based organic-inorganic hybrid perovskite |
| Authors of publication | Sun, Yu-Ling; Shi, Chao; Zhang, Wen |
| Journal of publication | Dalton Transactions |
| Year of publication | 2017 |
| a | 9.603 ± 0.003 Å |
| b | 14.769 ± 0.005 Å |
| c | 20.786 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2948 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0617 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1175 |
| Weighted residual factors for all reflections included in the refinement | 0.1321 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202942 (current) | 2017-11-08 | cif/ Adding structures of 7044701, 7044702, 7044703, 7044704 via cif-deposit CGI script. |
7044701.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.