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Information card for entry 4345838
Preview
| Coordinates | 4345838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | DMAPbI3 |
|---|---|
| Formula | C2 H8 I3 N Pb |
| Calculated formula | C2 H8 I3 N Pb |
| Title of publication | Phase Transition, Dielectric Properties, and Ionic Transport in the [(CH3)2NH2]PbI3 Organic-Inorganic Hybrid with 2H-Hexagonal Perovskite Structure. |
| Authors of publication | García-Fernández, A; Bermúdez-García, J M; Castro-García, S; Llamas-Saiz, A L; Artiaga, R.; López-Beceiro, J; Hu, S.; Ren, W.; Stroppa, A.; Sánchez-Andújar, M; Señarís-Rodríguez, M A |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 9 |
| Pages of publication | 4918 - 4927 |
| a | 8.9303 ± 0.0006 Å |
| b | 14.691 ± 0.0009 Å |
| c | 7.979 ± 0.0005 Å |
| α | 90° |
| β | 95.994 ± 0.004° |
| γ | 90° |
| Cell volume | 1041.08 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.096 |
| Residual factor for significantly intense reflections | 0.073 |
| Weighted residual factors for significantly intense reflections | 0.1776 |
| Weighted residual factors for all reflections included in the refinement | 0.1901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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 |
|---|---|---|---|
| 196000 (current) | 2017-05-04 | cif/ Adding structures of 4345838 via cif-deposit CGI script. |
4345838.cif |
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Users of the data should acknowledge the original authors of the
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