Tris(cycloheptylammonium) lead bromide

Chemical Formula: (C7H13NH3)3PbBr4
IUPAC: tris(cycloheptylaminium) lead (II) bromide
Alternate Names: Cycloheptylammonium lead bromide, tris(cycloheptylaminium) tetrabromoplumbate(II)
Organic: C7H13NH3
Inorganic: PbBr4, Lead bromide
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 21 , H : 48 , N : 3 , Pb : 1 , Br : 4
Atomic structure
(C7H13NH3)3PbBr4·H2O
Origin: experimental (T = 173.0 (±2.0) K)
Space group: P b c a
Lattice parameters

Crystal system: orthorhombic

a:8.0888 (±0.0004) Å
b:27.1707 (±0.0015) Å
c:28.9932 (±0.0016) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 173.0 (±2.0) K
D. G. Billing and A. Lemmerer, Inorganic–organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series, CrystEngComm 11, 1549‑1562 (2009). doi: 10.1039/B819455F.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: PbBr2, HBr, C7H13NH2

Product: Colorless crystals

Description: PbBr2 was dissolved in an HBr solution. Then, the cyclic amine was added and immediately resulted in the precipitation of a solid, which was re-dissolved by refluxing for 1-12 hours. The solution was then cooled slowly to room temperature, causing 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 collect the SCXRD data. Omega-scans of width 0.3 degrees were used. The SAINT+ program, version 6.02, was used to perform data reduction and the XPREP program was used to perform face indexed absorption corrections. The SHELXS-97 program was used for solving the structure, and the SHELXL-97 program was used to refine it by full matrix least-squares minimization.

D. G. Billing and A. Lemmerer, Inorganic–organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series, CrystEngComm 11, 1549‑1562 (2009). doi: 10.1039/B819455F.

Extraction method: Manually extracted from a publication
Entry added on: July 15, 2020, 11:14 p.m.
Entry added by: Andrew Levin NREL
Last updated on: Aug. 3, 2022, 11 a.m.
Last updated by: Rayan C Duke University

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Atomic coordinates



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