Information card for entry 4514572
| Formula |
C2 H8 I N S |
| Calculated formula |
C2 H8 I N S |
| SMILES |
C(C[NH3+])S.[I-] |
| Title of publication |
Enhanced Stability and Band Gap Tuning of α-[HC(NH<sub>2</sub>)<sub>2</sub>]PbI<sub>3</sub> Hybrid Perovskite by Large Cation Integration. |
| Authors of publication |
Leblanc, Antonin; Mercier, Nicolas; Allain, Magali; Dittmer, Jens; Pauporté, Thierry; Fernandez, Vincent; Boucher, Florent; Kepenekian, Mikael; Katan, Claudine |
| Journal of publication |
ACS applied materials & interfaces |
| Year of publication |
2019 |
| Journal volume |
11 |
| Journal issue |
23 |
| Pages of publication |
20743 - 20751 |
| a |
7.4572 ± 0.0007 Å |
| b |
9.0772 ± 0.001 Å |
| c |
9.3799 ± 0.0012 Å |
| α |
90° |
| β |
102.675 ± 0.012° |
| γ |
90° |
| Cell volume |
619.46 ± 0.12 Å3 |
| Cell temperature |
150.1 ± 0.5 K |
| Ambient diffraction temperature |
150 ± 0.5 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 |
0.0781 |
| Residual factor for significantly intense reflections |
0.0769 |
| Weighted residual factors for significantly intense reflections |
0.2163 |
| Weighted residual factors for all reflections included in the refinement |
0.2184 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.087 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4514572.html
