Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7713368
Preview
Coordinates | 7713368.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C5 H12 Br3 N O3 Pb |
---|---|
Calculated formula | C5 H12 Br3 N O3 Pb |
Title of publication | Structural diversity in proline-based lead bromide chiral perovskites |
Authors of publication | Sirenko, Valerii Y.; Kucheriv, Olesia I.; Fritsky, Igor O.; Gumienna-Kontecka, Elzbieta; Dascalu, Andrei; Shova, Sergiu; Gural'skiy, Il'ya A. |
Journal of publication | Dalton Transactions |
Year of publication | 2023 |
a | 7.7757 ± 0.0003 Å |
b | 15.305 ± 0.0005 Å |
c | 11.4543 ± 0.0005 Å |
α | 90° |
β | 107.668 ± 0.004° |
γ | 90° |
Cell volume | 1298.84 ± 0.09 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.077 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.049 |
Weighted residual factors for all reflections included in the refinement | 0.0585 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
284789 (current) | 2023-07-05 | cif/ Adding structures of 7713367, 7713368 via cif-deposit CGI script. |
7713368.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.