bis(bithiophenylethylammonium) tin iodide

Chemical Formula: C20H24I4N2S4Sn
IUPAC: bis(2-(2′:5′,2″bithiophen)ethan-1-aminium) tin(II) iodide
Alternate Names: (2T)2SnI4
Organic: C20H24N2S4
Inorganic: SnI4
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 20 , H : 24 , I : 4 , N : 2 , S : 4 , Sn : 1
Atomic structure
Method: Single-Crystal X-ray Difffraction
Origin: experimental (T = 150.0 K)
Space group: Cm
Lattice parameters

Crystal system: monoclinic

a:8.5791 (±0.0008) Å
b:40.673 (±0.006) Å
c:6.0303 (±0.0008) Å
α:90°
β:134.654 (±0.006)°
γ:90°
Fixed parameters:
  • temperature = 150.0 K
Y. Li, H. Zhou, M. Xia, H. Chen, T. Wang, H. Gao, X. Sheng, Y. Han, Z. Chen, L. Dou, H. Zhu, and E. Shi, Phase-pure 2D tin halide perovskite thin flakes for stable lasing, Science Advances 9, eadh0517‑eadh0517 (2023). doi: 10.1126/sciadv.adh0517.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: 2TI, SnI2, HI, H3PO2, IPA

Product: Single crystals of 2D tin halide perovskites. Thin flakes were then exfoliated from the single crystals.

Description: Single crystals synthesized by slow cooling method. Growth solution prepared with 0.03mmol 2TI, 0.03mmol SnI2, 0.1mL HI, 0.05mL H3PO2, and 0.4mL IPA in a sealed glass vial and placed in a muffle furnace and heated until completely dissolved. Solution cooled to room temperature at a rate of 2°C/hour. Crystals were then dried and stored in a nitrogen glove box.

Method: Single crystal X-ray diffraction

Description: PXRD performed by Bruker D8 Advance instrument scanning at 0.02° per step with a copper target. All single crystals were analyzed using a Bruker AXS D8 Venture diffractometer with a high-intensity diamond Cu/Mo hybrid dual-microfocal x-ray tube. All data collecting and processing was completed using APEX4 software. Full matrix least squares against F2 method was used for further refinement of structures.

Y. Li, H. Zhou, M. Xia, H. Chen, T. Wang, H. Gao, X. Sheng, Y. Han, Z. Chen, L. Dou, H. Zhu, and E. Shi, Phase-pure 2D tin halide perovskite thin flakes for stable lasing, Science Advances 9, eadh0517‑eadh0517 (2023). doi: 10.1126/sciadv.adh0517.

Extraction method: Manual from article
Entry added on: Jan. 23, 2024, 9:10 a.m.
Entry added by: Kelly Ma
Last updated on: Jan. 23, 2024, 9:10 a.m.
Last updated by: Kelly Ma

Download data
Data set ID: 2462 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.