L. Xu, H. Lin, S. Lee, C. Zhou, M. Worku, M. Chaaban, Q. He, A. Plaviak, X. Lin, B. Chen, M. Du, and B. Ma, 0D and 2D: The Cases of Phenylethylammonium Tin Bromide Hybrids, Chemistry of Materials 32, 4692‑4698 (2020). doi: 10.1021/acs.chemmater.0c01254.s001.
Bis(phenethylammonium) tin bromide: atomic structure Verified
Origin: experimental (T = 293.0 (±2.0) K)
Space group: P-1
Lattice parameters

Crystal system: triclinic

a:11.5583 (±0.0006) Å
b:11.6234 (±0.0005) Å
c:17.3131 (±0.0007) Å
α:80.299 (±0.004)°
β:74.26 (±0.004)°
γ:89.849 (±0.004)°
Fixed parameters:
  • temperature = 293.0 (±2.0) K
L. Xu, H. Lin, S. Lee, C. Zhou, M. Worku, M. Chaaban, Q. He, A. Plaviak, X. Lin, B. Chen, M. Du, and B. Ma, 0D and 2D: The Cases of Phenylethylammonium Tin Bromide Hybrids, Chemistry of Materials 32, 4692‑4698 (2020). doi: 10.1021/acs.chemmater.0c01254.s001.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: SnBr2, C6H5CH2CH2NH3Br, HBr, H3PO2

Product: yellow flake single crystals

Description: Growing the single crystal through the slow cooling process from 100 °C to room temperature. 2.0 mmol of SnBr2 and 4.0 mmol of PEABr are dissolved in a mixture of HBr (3 mL) and H3PO2 (1 mL) after magnetic stirring and nitrogen flow for ∼5 min at 100 °C. The solution is slowly cooled from 100 °C to room temperature. The obtained yellow flake single crystals are washed using acetone and ethyl ether and then dried under reduced pressure.

Method: single-crystal X-ray diffraction

Description: A Rigaku XtaLAB Synergy-S diffractometer using a HyPix-6000HE Hybrid Photon Counting (HPC) detector and a dual Mo and Cu microfocus sealed X-ray source as well as a low-temperature Oxford Cryosystem 800 is utilized to collect single-crystal X-ray data.

Extraction method: from a publication
Entry added on: Sept. 15, 2020, 4:54 p.m.
Entry added by: Yi Xie Duke University
Last updated on: Aug. 24, 2022, 8:25 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 1673 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!

Origin: experimental
Space group: C 1 c 1
Lattice parameters

Crystal system: monoclinic

a:17.055 (±0.0006) Å
b:10.0193 (±0.0003) Å
c:37.8344 (±0.0014) Å
α:90°
β:101.131 (±0.004)°
γ:90°
L. Xu, H. Lin, S. Lee, C. Zhou, M. Worku, M. Chaaban, Q. He, A. Plaviak, X. Lin, B. Chen, M. Du, and B. Ma, 0D and 2D: The Cases of Phenylethylammonium Tin Bromide Hybrids, Chemistry of Materials 32, 4692‑4698 (2020). doi: 10.1021/acs.chemmater.0c01254.s001.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: SnBr2, hydrobromic acid, phenylethylamine, ethanol, DMF, CH3CN

Product: colorless crystals

Description: Hydrobromic acid solution (1.74 mL, 15.4 mmol) was added in 100 mL of ethanol. White organic salts were obtained after filtration under vacuum, then washed and dried. SnBr2 (2.0 mmol) was dissolved with PEABr (8.0 mmol) with 1 mL of DMF and 2 mL CH3CN. Colorless block crystals formed after the vial was left to stand for 3 days.

Method: Single crystal X-ray diffraction

Description: SCXRD data collected using a Rigaku XtaLAB Synergy-S diffractometer equipped wtih a HyPix-6000HE Hybrid Photon Counting detector.

Extraction method: cif file provided by authors
Entry added on: Sept. 23, 2024, 5:51 a.m.
Entry added by: Kelly Ma
Last updated on: Sept. 23, 2024, 5:51 a.m.
Last updated by: Kelly Ma

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Data set ID: 2551 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!


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