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Information card for entry 2021524
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| Coordinates | 2021524.cif |
|---|---|
| Structure factors | 2021524.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[(2-azaniumylethyl)trimethylphosphanium [tetra-μ-bromido-plumbate(II)]] |
|---|---|
| Formula | C5 H16 Br4 N P Pb |
| Calculated formula | C5 H16 Br4 N P Pb |
| Title of publication | A two-dimensional organic‒inorganic hybrid perovskite-type semiconductor: poly[(2-azaniumylethyl)trimethylphosphanium [tetra-μ-bromido-plumbate(II)]] |
| Authors of publication | Cheng, Ling; Cao, Yingjie |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 3 |
| a | 6.0127 ± 0.0012 Å |
| b | 12.056 ± 0.002 Å |
| c | 9.962 ± 0.002 Å |
| α | 90° |
| β | 90.43 ± 0.03° |
| γ | 90° |
| Cell volume | 722.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0812 |
| Weighted residual factors for all reflections included in the refinement | 0.0826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213785 (current) | 2019-02-22 | cif/ hkl/ Adding structures of 2021524 via cif-deposit CGI script. |
2021524.cif 2021524.hkl |
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