Bis(5-iodopentylammonium) lead iodide

Chemical Formula: C10H26N2PbI6
IUPAC: bis(5-iodopentylaminium) lead (II) iodide
Alternate Names: (I(CH2)5NH3)2PbI4, bis(5-iodopentylaminium) tetraiodoplumbate(II)
Organic: C5H13NI
Inorganic: PbI4, Lead iodide
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 10 , H : 26 , N : 2 , Pb : 1 , I : 6
Atomic structure Verified
Origin: experimental (T = 173.0 (±2.0) K)
Space group: P 2₁/c
Lattice parameters

Crystal system: monoclinic

a:16.2583 (±0.0011) Å
b:8.9028 (±0.0005) Å
c:8.6261 (±0.0006) Å
α:90°
β:90.071 (±0.004)°
γ:90°
Fixed parameters:
  • temperature = 173.0 (±2.0) K
A. Lemmerer and D. G. Billing, Effect of heteroatoms in the inorganic–organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4], CrystEngComm 12, 1290‑1301 (2010). doi: 10.1039/B917824D.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: PbI2, HI(47%), pentanolamine (HOC5H10NH2)

Product: Orange crystals

Description: PbI2 (0.325 mmol; 0.236 g) was dissolved in 2 mL HI solution. Then HOC5H10NH2 (1.26 mmol; 0.130 g) was added. The precipitate was dissolved at room temperature via ultrasound. It is assumed that there was a substitution reaction that took place where the amine had an alcohol group substituted with an iodide atom. The solution was then cooled in a fridge to 5 degrees Celsius, causing orange 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.

A. Lemmerer and D. G. Billing, Effect of heteroatoms in the inorganic–organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4], CrystEngComm 12, 1290‑1301 (2010). doi: 10.1039/B917824D.

Extraction method: Manually extracted from a publication
Entry added on: July 8, 2020, 12:04 a.m.
Entry added by: Andrew Levin NREL
Last updated on: July 4, 2022, 12:30 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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