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Information card for entry 1572858
Preview
| Coordinates | 1572858.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H14 I6 N2 O Pb2 |
|---|---|
| Calculated formula | C4 H14 I6 N2 O Pb2 |
| Title of publication | A Three-Dimensional Lead Iodide Perovskite Analog Featuring Hydrogen-bonded Dual Monovalent Cations |
| Authors of publication | Wang, Wei; Liu, Cheng-Dong; Fan, Chang-Chun; Zhang, Wen |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 6.3366 ± 0.0003 Å |
| b | 16.1613 ± 0.0007 Å |
| c | 10.1821 ± 0.0004 Å |
| α | 90° |
| β | 93.579 ± 0.004° |
| γ | 90° |
| Cell volume | 1040.69 ± 0.08 Å3 |
| Cell temperature | 152.98 ± 0.1 K |
| Ambient diffraction temperature | 152.98 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0381 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0987 |
| Weighted residual factors for all reflections included in the refinement | 0.1003 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295436 (current) | 2024-10-12 | cif/ Adding structures of 1572858 via cif-deposit CGI script. |
1572858.cif |
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Users of the data should acknowledge the original authors of the
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