Phenylethylammonium dichloromethane tin bromide

Chemical Formula: C50H76N6Cl4SnBr8
IUPAC: -
Alternate Names: [(PEA)4SnBr6][(PEA)Br]2[CCl2H2]2
Organic: C50H76N6Cl4
Inorganic: SnBr8
Dimensionality: 0D
Formal Stoichiometry: C : 50 , H : 76 , N : 6 , Cl : 4 , Sn : 1 , Br : 8
Atomic structure
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: 0D
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.

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.

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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Atomic coordinates



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