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Information card for entry 7250166
Preview
| Coordinates | 7250166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H14 Br3 K N2 |
|---|---|
| Calculated formula | C6 H14 Br3 K N2 |
| Title of publication | Structures and Band Gaps of Lead-Free Dabconium-Containing Hybrid Alkali-Metal Halide Perovskites |
| Authors of publication | van der Poll, Hendrik Johannes; Erasmus, Rudolph; Rademeyer, Melanie |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 16.5223 ± 0.0003 Å |
| b | 16.5223 ± 0.0003 Å |
| c | 23.0126 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5440.5 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0222 |
| Residual factor for significantly intense reflections | 0.0198 |
| Weighted residual factors for significantly intense reflections | 0.0495 |
| Weighted residual factors for all reflections included in the refinement | 0.05 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298556 (current) | 2025-03-22 | cif/ Adding structures of 7250161, 7250162, 7250163, 7250164, 7250165, 7250166, 7250167, 7250168, 7250169 via cif-deposit CGI script. |
7250166.cif |
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Users of the data should acknowledge the original authors of the
structural data.