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Information card for entry 4003401
Preview
| Coordinates | 4003401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H1.25 I10 N6 Pb3 |
|---|---|
| Calculated formula | C16 H32 I10 N4 Pb3 |
| Title of publication | General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium |
| Authors of publication | Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2018 |
| Journal volume | 30 |
| Journal issue | 23 |
| Pages of publication | 8606 |
| a | 54.188 ± 0.004 Å |
| b | 8.9661 ± 0.0006 Å |
| c | 8.7984 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4274.7 ± 0.5 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 302 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.1468 |
| Residual factor for significantly intense reflections | 0.0723 |
| Weighted residual factors for significantly intense reflections | 0.1812 |
| Weighted residual factors for all reflections included in the refinement | 0.2174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231575 (current) | 2019-11-22 | cif/ Adding structures of 4003401 via cif-deposit CGI script. |
4003401.cif |
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Users of the data should acknowledge the original authors of the
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