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Information card for entry 4003049
Preview
| Coordinates | 4003049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H14 Bi I5 N2 |
|---|---|
| Calculated formula | C4 H14 Bi I5 N2 |
| Title of publication | A Lead-Free Hybrid Iodide with Quantitative Response to X-ray Radiation |
| Authors of publication | Tao, Kewen; Li, Yaobin; Ji, Chengmin; Liu, Xitao; Wu, Zhenyue; Han, Shiguo; Sun, Zhihua; Luo, Junhua |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| Journal volume | 31 |
| Journal issue | 15 |
| Pages of publication | 5927 |
| a | 18.3099 ± 0.0004 Å |
| b | 10.9142 ± 0.0003 Å |
| c | 8.4635 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1691.33 ± 0.07 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0704 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.1737 |
| Weighted residual factors for all reflections included in the refinement | 0.1775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220468 (current) | 2019-10-29 | cif/ Adding structures of 4003049 via cif-deposit CGI script. |
4003049.cif |
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Users of the data should acknowledge the original authors of the
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