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Information card for entry 7250165
Preview
| Coordinates | 7250165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H14 Br3 Cs N2 |
|---|---|
| Calculated formula | C6 H14 Br3 Cs 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 | 9.8044 ± 0.0002 Å |
| b | 9.8273 ± 0.0003 Å |
| c | 27.3662 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2636.75 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0429 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0832 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7250165.cif |
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Users of the data should acknowledge the original authors of the
structural data.