Histammonium lead bromide: atomic structure

Atomic structure Verified
Origin: experimental (T = 100.0 K)
Space group: P 2₁/c
Lattice parameters

Crystal system: monoclinic

a:10.5412 (±0.0013) Å
b:11.5023 (±0.0014) Å
c:11.925 (±0.0014) Å
α:90°
β:109.996 (±0.003)°
γ:90°
Fixed parameters:
  • temperature = 100.0 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: Histamine, PbBr2, HBr

Product: plate-like yellow crystals

Description: 0.34 mmol PbBr2, 0.35 mmol histamine 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, 5:53 p.m.
Entry added by: Xixi Qin Duke University
Last updated on: June 22, 2022, 9:47 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 494 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

 

Atomic coordinates


Atomic structure Verified
Origin: experimental (T = 296.15 K)
Space group: P 2₁/c
Lattice parameters

Crystal system: monoclinic

a:10.6055 (±0.0013) Å
b:11.6091 (±0.0014) Å
c:11.9312 (±0.0014) Å
α:90°
β:110.061 (±0.003)°
γ:90°
Fixed parameters:
  • temperature = 296.15 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: Histamine, PbBr2, HBr

Product: plate-like yellow crystals

Description: 0.34 mmol PbBr2, 0.35 mmol histamine 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, 5:56 p.m.
Entry added by: Xixi Qin Duke University
Last updated on: June 22, 2022, 9:47 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 495 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

 

Atomic coordinates


Atomic structure Verified
Origin: experimental (T = 293.0 (±2.0) K)
Space group: P 2₁/c
Lattice parameters

Crystal system: monoclinic

a:10.6322 (±0.0018) Å
b:11.617 (±0.002) Å
c:11.955 (±0.002) Å
α:90°
β:69.941 (±0.002)°
γ:90°
Fixed parameters:
  • temperature = 293.0 (±2.0) K
Y. Li, C. Lin, G. Zheng, and J. Lin, Synthesis, structure and optical properties of new organic–inorganic haloplumbates complexes (C5H10N3)PbX4 (X=Br, Cl), (C2H2N4)PbBr3, Journal of Solid State Chemistry 180, 173‑179 (2007). doi: 10.1016/j.jssc.2006.09.023.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: PbBr2 (99.99%), Histamine (98%), HBr (40%)

Product: Pink crystals (yield: 40.3%)

Description: Equimolar amounts of PbBr2 (0.367g, 0.1 mmol) and histamine (0.113 g 0.1 mmol) were mixed in 10mL HBr by heating and refluxing at 90 °C and then, the solution slowly cooled to room temperature in N2 atmosphere.

Method: Single-crystal X-ray diffraction

Description: A Rigaku RAXIS-RAPID image plate diffractometer employed the ω-scan technique and used Mo Kα radiation (λ=0.71069 Å). Structures were solved via direct methods using SHELXS-97 and full-matrix least-squares techniques using SHELXL-97 implemented in WINGX.

Y. Li, C. Lin, G. Zheng, and J. Lin, Synthesis, structure and optical properties of new organic–inorganic haloplumbates complexes (C5H10N3)PbX4 (X=Br, Cl), (C2H2N4)PbBr3, Journal of Solid State Chemistry 180, 173‑179 (2007). doi: 10.1016/j.jssc.2006.09.023.

Extraction method: Manually extracted from a publication
Entry added on: July 17, 2020, 3:33 p.m.
Entry added by: Andrew Levin NREL
Last updated on: May 5, 2022, 1:25 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1418 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

 

Atomic coordinates



License

All data is available under the Creative Commons license with attribution clause, described here and, in its full text, here.