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Information card for entry 2023308
Preview
| Coordinates | 2023308.cif |
|---|---|
| Structure factors | 2023308.hkl |
| Original IUCr paper | HTML |
| Formula | C4 H20 Br6 N4 Zn |
|---|---|
| Calculated formula | C4 H20 Br6 N4 Zn |
| Title of publication | Atypical phase transition, twinning and ferroelastic domain structure in bis(ethylenediammonium) tetrabromozincate(II) bromide, [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>NH<sub>3</sub>]<sub>2</sub>[ZnBr<sub>4</sub>]Br<sub>2</sub>. |
| Authors of publication | Czapla, Zbigniew; Krawczyk, Monika K.; Kinzhybalo, Vasyl |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| Pages of publication | 738 - 745 |
| a | 6.438 ± 0.003 Å |
| b | 19.945 ± 0.006 Å |
| c | 6.726 ± 0.003 Å |
| α | 90° |
| β | 93.16 ± 0.03° |
| γ | 90° |
| Cell volume | 862.3 ± 0.6 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.0567 |
| Weighted residual factors for all reflections included in the refinement | 0.0638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296751 (current) | 2024-12-07 | cif/ Updating files of 2023307, 2023308 Original log message: Adding full bibliography for 2023307--2023308.cif. |
2023308.cif 2023308.hkl |
| 295832 | 2024-11-08 | cif/ hkl/ Adding structures of 2023307, 2023308 via cif-deposit CGI script. |
2023308.cif 2023308.hkl |
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Users of the data should acknowledge the original authors of the
structural data.