S-1-(1-naphthyl)ethylammonium lead iodide

Chemical Formula: C24H28N2Pb2I6
IUPAC: S-1-(1-naphthyl)ethanaminium lead iodide
Alternate Names: S-NEA2Pb2I6, S-C24H28N2Pb2I6, S-NPI, S-1-(1-naphthyl)ethylammonium hexaiodo diplumbate(II)
Organic: C12H14N
Inorganic: Pb2I6, Lead iodide
Dimensionality: 2.5D n: 2
Formal Stoichiometry: C : 24 , H : 28 , N : 2 , Pb : 2 , I : 6
Atomic structure Verified
chiral 1D lead iodide hybrid
Origin: experimental (T = 298.0 K)
Space group: P 2₁ 2₁ 2₁
Lattice parameters

Crystal system: orthorhombic

a:8.1 (±0.0003) Å
b:8.4632 (±0.0003) Å
c:25.3124 (±0.0009) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 298.0 K
M. K. Jana, R. Song, H. Liu, D. R. Khanal, S. M. Janke, R. Zhao, C. Liu, Z. V. Vardeny, V. Blum, and D. B. Mitzi, Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling., Nature Communications 11, 4699-1‑4699-10 (2020). doi: 10.1038/s41467-020-18485-7.
System description
Dimensionality: 2.5D n: 2
Sample type: single crystal

Starting materials: (S)-(−)-1-(1-naphthyl)ethylamine (≥99%), PbI2

Product: S-NEA2Pb2I6 (S-NPI)

Description: Single crystals of 1D S-NEA2Pb2I6 (S-NPI) were obtained by cooling a hot aq. HI solution of S-1-(1-naphthyl)ethylamine (0.25 mmol) and PbI2 (0.125 mmol) from 90 °C to room-temperature in 48 hr. The pale-yellow, needle-like crystals were filtered, washed with diethyl ether, and vacuum-dried.

Method: Single crystal X-ray diffraction

Description: Single crystal X-ray diffraction (XRD) was performed at 298 K on a Bruker APEX II CCD diffractometer using Mo-Kα radiation (λ=0.710 Å) and X-ray tube operating at 50 kV and 30 mA

M. K. Jana, R. Song, H. Liu, D. R. Khanal, S. M. Janke, R. Zhao, C. Liu, Z. V. Vardeny, V. Blum, and D. B. Mitzi, Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling., Nature Communications 11, 4699-1‑4699-10 (2020). doi: 10.1038/s41467-020-18485-7.

Extraction method: from author
Entry added on: Aug. 4, 2020, 2:44 p.m.
Entry added by: Manoj Kumar Jana Duke University
Last updated on: Aug. 22, 2022, 3:32 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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