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Information card for entry 1571164
Preview
| Coordinates | 1571164.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C6 H17 Br3 N2 O |
|---|---|
| Calculated formula | C6 H17 Br3 N2 O |
| Title of publication | Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph. |
| Authors of publication | Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej |
| Journal of publication | IUCrJ |
| Year of publication | 2022 |
| Journal volume | 9 |
| Journal issue | Pt 5 |
| Pages of publication | 544 - 550 |
| a | 9.5838 ± 0.0003 Å |
| b | 9.5838 ± 0.0003 Å |
| c | 23.227 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1847.56 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 154 |
| Hermann-Mauguin space group symbol | P 32 2 1 |
| Hall space group symbol | P 32 2" |
| Residual factor for all reflections | 0.0705 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0652 |
| Weighted residual factors for all reflections included in the refinement | 0.074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290375 (current) | 2024-03-07 | cif/ Adding structures of 1571164, 1571165 via cif-deposit CGI script. |
1571164.cif |
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