Tris(isopropylammonium) tin iodide

Chemical Formula: {(CH3)2C(H)NH3}3Sn2I7
IUPAC: tris(isopropylaminium) tin iodide
Alternate Names: (IPA)3Sn2I7, tris(isopropylaminium) septaiodo distannate(II)
Organic: C3NH10
Inorganic: Sn2I7, Tin iodide
Dimensionality: 2.5D n: 2
Formal Stoichiometry: C : 9 , H : 30 , N : 3 , Sn : 2 , I : 7
Atomic structure
Origin: experimental
Space group: P 42 cm
Lattice parameters

Crystal system: tetragonal

a:8.9525 (±0.0003) Å
b:8.9525 (±0.0003) Å
c:36.5514 (±0.0015) Å
α:90°
β:90°
γ:90°
C. C. Stoumpos, L. Mao, C. D. Malliakas, and M. G. Kanatzidis, Structure−Band Gap Relationships in Hexagonal Polytypes and Low- Dimensional Structures of Hybrid Tin Iodide Perovskites, Inorganic Chemistry 56, 56‑73 (2016). doi: 10.1021/acs.inorgchem.6b02764.
System description
Dimensionality: 2.5D n: 2
Sample type: single crystal

Starting materials: HI, H3PO2, SnI2, (CH3)2CHNH3I

Product: yellow crystals

Description: Aq HI (7.58M, 6.8mL) and aq H3PO2 (9.14M, 1.7mL) mixture in a flask was degassed by nitrogen. SnI2 (2mmol) was then dissolved into the mixture and the flask was brought to boiling at 130°C using an oil bath under constant stirring. Solid (CH3)2CHNH3I (4mmol) was added to the solution, forming a yellow precipitate. Solution was raised to 200°C, were the precipitate changed from yellow to red. Solution was left to cool, leading to the yellow color.

Method: Single crystal X-ray diffraction

Description: SC-XRD was performed with a STOE IPDS II or IPDS 2T diffractometer with Mo Kα radiation (λ = 0.71073 Å), operating at 50 kV and 40 mA. Integration/numerical absorption corrections were executed with X-AREA, X-RED, and X-SHAPE programs.

C. C. Stoumpos, L. Mao, C. D. Malliakas, and M. G. Kanatzidis, Structure−Band Gap Relationships in Hexagonal Polytypes and Low- Dimensional Structures of Hybrid Tin Iodide Perovskites, Inorganic Chemistry 56, 56‑73 (2016). doi: 10.1021/acs.inorgchem.6b02764.

Entry added on: March 19, 2024, 10:38 a.m.
Entry added by: Kelly Ma
Last updated on: March 19, 2024, 10:38 a.m.
Last updated by: Kelly Ma

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Atomic coordinates



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