Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7124242
Preview
| Coordinates | 7124242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H44 Bi2 I10 N4 O2 |
|---|---|
| Calculated formula | C16 H44 Bi2 I10 N4 O2 |
| Title of publication | Tunable Optical Absorption in Lead-Free Perovskite-Like Hybrids by Iodide Management |
| Authors of publication | Kou, Bo; Zhang, WeiChuan; Ji, Chengmin; Wu, Zhenyue; Zhang, Shuhua; Liu, Xitao; Luo, Junhua |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 15.7709 ± 0.0007 Å |
| b | 22.3276 ± 0.0012 Å |
| c | 24.5774 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8654.4 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.99 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 | 0.0339 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218885 (current) | 2019-09-28 | cif/ Adding structures of 7124240, 7124241, 7124242 via cif-deposit CGI script. |
7124242.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.