3-(2-ammonioethyl)anilinium lead bromide

Chemical Formula: C8H14N2PbBr4
IUPAC: 3-(2-ethanaminium)anilinium lead(II) bromide
Alternate Names: 3-(2-ethanaminium)anilinium tetrabromoplumbate(II), (AEA)PbBr4
Organic: C8H14N2
Inorganic: PbBr4, Lead bromide
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 8 , H : 14 , N : 2 , Pb : 1 , Br : 4
Atomic structure Verified
Origin: experimental (T = 298.0 K)
Space group: P 2₁/c
Lattice parameters

Crystal system: monoclinic

a:7.7688 (±0.0003) Å
b:8.5108 (±0.0004) Å
c:24.6314 (±0.0011) Å
α:90°
β:95.197 (±0.002)°
γ:90°
Fixed parameters:
  • temperature = 298.0 K
M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: 3-(2-ammonioethyl)anilin, PbBr2, HBr

Product: plate-like colorless crystals

Description: 0.34 mmol PbBr2, 0.35 mmol 3-(2-ammonioethyl)anilin are mixed in 3 mL of 9M HBr. The mixture is then heated to 100 ˚C for 2 h to dissolve the solid, and then slowly cooled down to room temperature at −2 °C·hr−1.

Method: Single crystal X-ray diffraction

Description: Frames were collected using Bruker D85 diffractometer at the Advanced Light Source beamline 11.3.1 (λ=0.7749 Å).

M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.

Entry added on: Aug. 15, 2019, 3:26 p.m.
Entry added by: Xixi Qin Duke University
Last updated on: June 22, 2022, 9:46 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Atomic coordinates



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