bis(1-tetradecylammonium) lead iodide: atomic structure

Atomic structure Verified
Origin: experimental (T = 293.0 (±2.0) K)
Space group: P b c a
Lattice parameters

Crystal system: orthorhombic

a:8.847399712 Å
b:8.516699791 Å
c:54.15610123 Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 293.0 (±2.0) K
D. G. Billing and A. Lemmerer, Synthesis, characterization and phase transitions of the inorganic–organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4](n = 12, 14, 16 and 18), New Journal of Chemistry 32, 1736‑1746 (2008). doi: 10.1039/b805417g.
System description
Dimensionality: 2D n: 1
Sample type: single crystal
Related data
This data set is directly linked to other data sets: See all related data

Starting materials: PbI2, 47% HI, C14H29NH2, ethyl acetate

Product: yellow plate-like crystal

Description: 0.015 g PbI2 (0.104 mmol) was added into 1 mL 47% HI. Then, 0.010 g C14H29NH2 (0.047 mmol) was added to the above solution. The formed precipitation was then dissolved into 5 mL ethyl acetate. The yellow single crystals were obtained by slow evaporation over a number of days.

Method: Single crystal X-ray diffraction

Description: A Bruker Apex II CCD diffractometer with graphite-monochromated Mo-Ka radiation (λ = 0.71073 Å) was used to get diffraction data. SAINT-NT16 was used to do data reduction and cell refinement. XPREP16 was used to determine space groups. WinGx17 Suite by direct methods using SHELXS9718 was used to resolve structure and the structure refinement was done by full-matrix least squares/difference Fourier techniques using SHELXL97.

D. G. Billing and A. Lemmerer, Synthesis, characterization and phase transitions of the inorganic–organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4](n = 12, 14, 16 and 18), New Journal of Chemistry 32, 1736‑1746 (2008). doi: 10.1039/b805417g.

Entry added on: Aug. 25, 2019, 6:39 p.m.
Entry added by: Xixi Qin Duke University
Last updated on: June 22, 2022, 8:29 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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