Crystal system: orthorhombic
| a: | 12.8543 (±0.0007) Å |
| b: | 20.7714 (±0.0013) Å |
| c: | 6.4866 (±0.0004) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Starting materials: PbI2, HI, BrC2H4NH2·HBr
Product: Red crystals
Description: PbI2 (0.113 mmol; 0.052 g) was dissolved in 2 mL HI solution. Then BrC2H4NH2·HBr (0.376 mmol; 0.077 g) was added. The precipitate was dissolved at room temperature via ultrasound. The solution was then cooled in a fridge to 5 degrees Celsius, causing red crystals to precipitate.
Method: Single-crystal X-ray diffraction
Description: A Bruker SMART 1K CCD area detector diffractometer using Mo Kalpha radiation was used to measure SCXRD at 173 K. Omega-scans of width 0.3 degrees were used. The SAINT+ version 6.02 program was used for data reduction and the XPREP program was used for absorption corrections. SHELXS-97 was used to directly solve the structure. SHELXL-97 was used for refinement of the structure.
Crystal system: monoclinic
| a: | 9.1263 (±0.001) Å |
| b: | 9.1429 (±0.001) Å |
| c: | 21.45 (±0.002) Å |
| α: | 90° |
| β: | 98.65 (±0.001)° |
| γ: | 90° |
Crystal system: orthorhombic
| a: | 6.4824 (±0.0003) Å |
| b: | 12.9046 (±0.0008) Å |
| c: | 21.1409 (±0.0016) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Starting materials: Acetonitrile, HI, Br(CH2)2NH2, PbI2
Product: Red plate-like crystals
Description: In 6:2:1 molar ratio HI, Br-(CH2)2-NH2, and PbI2 were added to an acetonitrile solution. It was stirred for a short time at room temperature, forming a clear and yellow solution. It was then held at room temperature and allowed to evaporate, leaving behind crystals of the perovskite after a few hours.
Method: Single-crystal X-ray diffraction
Description: A Bruker-Nonius KAPPA-CDD diffractometer using Mo Kalpha radiation was used to collect the SCXRD data. The Shelxl97 package was used to both solve and refine the structures.