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Information card for entry 4518728
Preview
| Coordinates | 4518728.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H24 I4 N2 Pb |
|---|---|
| Calculated formula | C8 H24 I4 N2 Pb |
| Title of publication | Strongly Anharmonic Octahedral Tilting in Two-Dimensional Hybrid Halide Perovskites |
| Authors of publication | Menahem, Matan; Dai, Zhenbang; Aharon, Sigalit; Sharma, Rituraj; Asher, Maor; Diskin-Posner, Yael; Korobko, Roman; Rappe, Andrew M.; Yaffe, Omer |
| Journal of publication | ACS Nano |
| Year of publication | 2021 |
| a | 8.5057 ± 0.0003 Å |
| b | 9.0045 ± 0.0004 Å |
| c | 26.6249 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2039.19 ± 0.15 Å3 |
| Cell temperature | 270 ± 2 K |
| Ambient diffraction temperature | 270 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.1065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265310 (current) | 2021-05-19 | cif/ Adding structures of 4518728 via cif-deposit CGI script. |
4518728.cif |
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Users of the data should acknowledge the original authors of the
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