Crystal system: orthorhombic
| a: | 8.7127 Å |
| b: | 8.7129 Å |
| c: | 35.031 Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Starting materials: n-Butanol, 57wt% stabilized HI (Alfa Aesar), perfluorophenethylammonium iodide (F5-PEAI; synthesized)
Product: Yellow plate-like crystals
Description: In 0.5 ml n-Butanol and 0.1 ml 57wt% stabilized HI, 69.2 mg PbI2 and 101.7 mg F5-PEAI were dissolved at 95 °C. The solution was slowly cooled down at 1 °C/h to room temperature and the solids were collected.
Comment: The structure is taken from the cif file provided by the authors. (A cif file is also attached as supporting data to this data set.) We believe that the data for ((PEA)0.5(F5-PEA)0.5)2PbI4 and (F5-PEA)2PbI4 in Table S2 of the reference is switched. The cif files look correct.
Method: Single crystal X-ray Diffraction
Description: Bruker D8 Quest ECO diffractometer equipped with a microfocus Mo K radiation source and Photon 50 CMOS half-plate detector was used for SCXRD data collection at room temperature.