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Information card for entry 2023173
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Coordinates | 2023173.cif |
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Original IUCr paper | HTML |
Chemical name | 2-Bromoethylammonium bromide |
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Formula | C2 H7 Br2 N |
Calculated formula | C2 H7 Br2 N |
Title of publication | Crystal structure and Hirshfeld surface analysis of 2-bromo-ethyl-ammonium bromide - a possible side product upon synthesis of hybrid perovskites. |
Authors of publication | Semenikhin, Oleksandr A.; Shova, Sergiu; Golenya, Irina A.; Naumova, Dina D.; Gural'skiy, Il'ya A. |
Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | Pt 7 |
Pages of publication | 738 - 741 |
a | 7.8966 ± 0.0004 Å |
b | 8.3394 ± 0.0004 Å |
c | 9.0089 ± 0.0004 Å |
α | 90° |
β | 100.546 ± 0.005° |
γ | 90° |
Cell volume | 583.24 ± 0.05 Å3 |
Cell temperature | 200 ± 0.1 K |
Ambient diffraction temperature | 200 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0305 |
Residual factor for significantly intense reflections | 0.0236 |
Weighted residual factors for significantly intense reflections | 0.0525 |
Weighted residual factors for all reflections included in the refinement | 0.0541 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2023173.html
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