2-methyl-1,5-pentanediamine lead bromide

Chemical Formula: C6H18N2PbBr4
IUPAC: methyl-2-pentane-1,5-diaminium lead(II) bromide
Alternate Names: methyl-2-pentane-1,5-diaminium tetrabromoplumbate(II), (MPenDA)PbBr4, NH3C5H9CH3NH3PbBr4
Organic: C6H18N2
Inorganic: PbBr4, Lead bromide
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 6 , H : 18 , N : 2 , Pb : 1 , Br : 4
Atomic structure Verified
Origin: experimental (T = 298.0 K)
Space group: C 2/c
Lattice parameters

Crystal system: monoclinic

a:24.4632 (±0.0015) Å
b:8.0039 (±0.0004) Å
c:8.1963 (±0.0005) Å
α:90°
β:99.745 (±0.002)°
γ:90°
Fixed parameters:
  • temperature = 298.0 K
M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: 2-methyl-1,5-pentanediamine, PbBr2, HBr

Product: needle-like colorless crystal

Description: 0.34 mmol PbBr2, 0.35 mmol 2-methyl-1,5-pentanediamine are mixed in 3 mL of 9M HBr. The mixture is then heated to 100 ˚C for 2 h to dissolve the solid, and then slowly cooled down to room temperature at −2 °C·hr−1.

Method: Single crystal X-ray diffraction

Description: Frames were collected using Bruker D8 Venture diffractometer equipped with a Photon 100 CMOS detector employing Mo Kα radiation (λ=0.71073 Å).

M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.

Entry added on: Aug. 15, 2019, 2:52 p.m.
Entry added by: Xixi Qin Duke University
Last updated on: June 22, 2022, 9:40 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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