bis(sec-butylammonium) lead iodide

Chemical Formula: C8H24N2PbI4
IUPAC: 1-methyl-1-propanaminium lead (II) iodide
Alternate Names: 1-methyl-1-propanaminium tetraiodoplumbate(II), (1-Me-pa)2PbI4
Organic: C4H12N
Inorganic: PbI4, Lead iodide
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 8 , H : 24 , N : 2 , Pb : 1 , I : 4
Atomic structure Verified
Origin: experimental (T = 293.0 (±2.0) K)
Space group: P 4₂/n c m
Lattice parameters

Crystal system: tetragonal

a:8.9353 Å
b:8.9353 Å
c:24.9636 Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 293.0 (±2.0) K
T. Li, W. A. Dunlap-Shohl, E. W. Reinheimer, P. Le Magueres, and D. B. Mitzi, Melting temperature suppression of layered hybrid lead halide perovskites via organic ammonium cation branching, Chemical Science 10, 1168‑1175 (2019). doi: 10.1039/C8SC03863E.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: sec-butylamine (1-Me-pa, 99%), hydriodic acid (HI) solution (57 wt%, stabilized, 99.95%), PbI2

Product: metallic orange block

Description: 1-Me-pa∙HI salt was synthesized by adding a stoichiometric volume of HI into sec-butylamine in a cold water bath, evaporating water at 150 ˚C on a hot plate and vacuum drying at 150 ˚C at 40 mtorr for a week. Thin plate-like (1-Me-pa)2PbI4 crystals were grown by adding stoichiometric amounts of PbI2 (0.25 mmol) and 1-Me-pa∙HI (0.5 mmol) to a solution of 0.5 mL HI solution and 0.5 mL methanol followed by slow evaporation of the solution over a week. The crystals were filtered and washed with ethyl ether.

Method: Single crystal X-ray Diffraction

Description: Data were collected using Rigaku XtaLAB Synergy-S diffractometer using Mo Kα radiation (= 0.71073 Å).

T. Li, W. A. Dunlap-Shohl, E. W. Reinheimer, P. Le Magueres, and D. B. Mitzi, Melting temperature suppression of layered hybrid lead halide perovskites via organic ammonium cation branching, Chemical Science 10, 1168‑1175 (2019). doi: 10.1039/C8SC03863E.

Extraction method: manually extracted from a publication
Entry added on: Aug. 19, 2019, 4:10 p.m.
Entry added by: Manoj Kumar Jana Duke University
Last updated on: June 22, 2022, 9:42 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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