Bis(bithiophenylethylammonium) lead bromide

Chemical Formula: Br8Pb2•4(C10H12NS2)
IUPAC: bis(bithiophenylethylammonium) lead (II) bromide
Alternate Names: (2T)2PbBr4, bis(bithiophenylethylammonium) tetrabromoplumbate(II)
Organic: C5H7NS
Inorganic: PbBr4, Lead bromide
Dimensionality: 2D n: 1
Formal Stoichiometry: Br : 8 , Pb : 2 , C : 40 , H : 48 , N : 4 , S : 8
Atomic structure Verified
Origin: experimental (T = 150.0 K)
Space group: P-1
Lattice parameters

Crystal system: triclinic

a:11.3032 (±0.0013) Å
b:11.6338 (±0.0013) Å
c:21.602 (±0.002) Å
α:82.26 (±0.004)°
β:86.069 (±0.005)°
γ:89.888 (±0.005)°
Fixed parameters:
  • temperature = 150.0 K
E. Shi, B. Yuan, S. B. Shiring, Y. Gao, A. Akriti, Y. Guo, C. Su, M. Lai, P. Yang, J. Kong, B. M. Savoie, Y. Yu, and L. Dou, Two-dimensional halide perovskite lateral epitaxial heterostructures, Nature 580, 614‑620 (2020). doi: 10.1038/s41586-020-2219-7.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: 2T•HBr (2T: bithiophenylethylammonium), lead bromide (PbBr2), dimethylformide (DMF), anhydrous chlorobenzene (CB)

Product: sheet-like crystals

Description: 10 μmol of PbBr2 and 20 μmol of 2T•HBr were dissolved in 2 mL of DMF/CB co-solvent (1:1 ratio). This resulted in 5 mM of stock solution. This solution was diluted 120 times by CB/An/DCB cosolvent (2.5:1:0.01 volume ratio). Only 5-10 μmol was placed on a growth substrate SiO2, at the bottom of a glass vial and was later transferred to another vial with 3 mL of CB. This was placed on a 70º hot plate. Growth took 10-30 minutes.

Method: Single Crystal X-Ray Diffraction

Description: Bruker AXS D8 Quest CMOS diffractometer with kappa geometry, an I-μ-S microsource X-ray tube, multilayer Göbel mirror, and Photon2 CMOS was used. Data was collected with Cu Kα radiation (λ = 1.54178 Å).

E. Shi, B. Yuan, S. B. Shiring, Y. Gao, A. Akriti, Y. Guo, C. Su, M. Lai, P. Yang, J. Kong, B. M. Savoie, Y. Yu, and L. Dou, Two-dimensional halide perovskite lateral epitaxial heterostructures, Nature 580, 614‑620 (2020). doi: 10.1038/s41586-020-2219-7.

Extraction method: Manually extracted from a publication
Entry added on: June 24, 2020, 1:01 a.m.
Entry added by: Rebecca Lau Duke University
Last updated on: June 18, 2022, 6:55 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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