Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229539
Preview
| Coordinates | 7229539.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H24.05 Br4 Cd N2.05 |
|---|---|
| Calculated formula | C10 H24.046 Br4 Cd N2.046 |
| Title of publication | Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals |
| Authors of publication | Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi |
| Journal of publication | RSC Advances |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 82 |
| Pages of publication | 52024 |
| a | 12.409 ± 0.018 Å |
| b | 13.23 ± 0.014 Å |
| c | 23.79 ± 0.03 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3906 ± 9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0966 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1358 |
| Weighted residual factors for all reflections included in the refinement | 0.1509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203000 (current) | 2017-11-09 | cif/ Adding structures of 7229536, 7229537, 7229538, 7229539, 7229540, 7229541 via cif-deposit CGI script. |
7229539.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.