Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4004009
Preview
Coordinates | 4004009.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H48 Bi2 Br9 N3 |
---|---|
Calculated formula | C18 H48 Bi2 Br9 N3 |
Title of publication | Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches |
Authors of publication | Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi |
Journal of publication | Chemistry of Materials |
Year of publication | 2021 |
a | 23.0597 ± 0.0008 Å |
b | 18.4426 ± 0.0007 Å |
c | 18.2352 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7755.1 ± 0.5 Å3 |
Cell temperature | 148 ± 0.1 K |
Ambient diffraction temperature | 148 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1582 |
Residual factor for significantly intense reflections | 0.1292 |
Weighted residual factors for significantly intense reflections | 0.3266 |
Weighted residual factors for all reflections included in the refinement | 0.3499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
267571 (current) | 2021-07-16 | cif/ Adding structures of 4004009 via cif-deposit CGI script. |
4004009.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.