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Information card for entry 7711256
Preview
| Coordinates | 7711256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H28 I3 N O6 Pb |
|---|---|
| Calculated formula | C12 H28 I3 N O6 Pb |
| Title of publication | Two-step thermotropic phase transition and dielectric relaxation in 1D supramolecular lead iodide perovskite [NH4@18-crown ether]PbI3 |
| Authors of publication | Xie, Yu-Xin; Yuan, Guo-Jun; Miao, Ji-Bin; Luan, Ye-Ting; Li, Li; Chen, Hong; Ren, Xiaoming |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 8.3103 ± 0.0004 Å |
| b | 15.9036 ± 0.0009 Å |
| c | 18.3037 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2419.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.074 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277904 (current) | 2022-09-16 | cif/ Adding structures of 7711256, 7711257, 7711258, 7711259, 7711260, 7711261, 7711262, 7711263 via cif-deposit CGI script. |
7711256.cif |
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Users of the data should acknowledge the original authors of the
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