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Information card for entry 1553653
Preview
| Coordinates | 1553653.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | pyridinium iodobismuthate |
|---|---|
| Formula | C5 H6 Bi I4 N |
| Calculated formula | C5 H6 Bi I4 N |
| Title of publication | Lead-free pseudo-three-dimensional organic‒inorganic iodobismuthates for photovoltaic applications |
| Authors of publication | Li, Tianyue; Hu, Yue; Morrison, Carole A.; Wu, Wenjun; Han, Hongwei; Robertson, Neil |
| Journal of publication | Sustainable Energy & Fuels |
| Year of publication | 2017 |
| Journal volume | 1 |
| Journal issue | 2 |
| Pages of publication | 308 |
| a | 12.6997 ± 0.0003 Å |
| b | 28.3198 ± 0.0006 Å |
| c | 7.716 ± 0.0002 Å |
| α | 90° |
| β | 95.288 ± 0.001° |
| γ | 90° |
| Cell volume | 2763.27 ± 0.11 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| 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 | 0.0859 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.165 |
| Weighted residual factors for all reflections included in the refinement | 0.1785 |
| 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 | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235375 (current) | 2019-11-23 | cif/ Adding structures of 1553652, 1553653 via cif-deposit CGI script. |
1553653.cif |
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