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Information card for entry 4003234
Preview
| Coordinates | 4003234.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Butylammonium Methylammonium Lead Iodide |
|---|---|
| Formula | C9 H30 I7 N3 Pb2 |
| Calculated formula | C9 H30 I7 N3 Pb2 |
| Title of publication | Ruddlesden‒Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors |
| Authors of publication | Stoumpos, Constantinos C.; Cao, Duyen H.; Clark, Daniel J.; Young, Joshua; Rondinelli, James M.; Jang, Joon I.; Hupp, Joseph T.; Kanatzidis, Mercouri G. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2016 |
| Journal volume | 28 |
| Journal issue | 8 |
| Pages of publication | 2852 |
| a | 8.947 ± 0.0004 Å |
| b | 39.347 ± 0.002 Å |
| c | 8.8589 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3118.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 40 |
| Hermann-Mauguin space group symbol | C c 2 m |
| Hall space group symbol | C -2c -2c |
| Residual factor for all reflections | 0.0632 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1394 |
| Weighted residual factors for all reflections included in the refinement | 0.1478 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231452 (current) | 2019-11-22 | cif/ Adding structures of 4003234, 4003235, 4003236 via cif-deposit CGI script. |
4003234.cif |
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Users of the data should acknowledge the original authors of the
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