Bis(guanidinium) tin iodide

Chemical Formula: {C(NH2)3}2SnI4
IUPAC: bis(diaminomethanaminium) tin iodide
Alternate Names: GA2SnI4, bis(diaminomethanaminium) tetraiodostannate(II)
Organic: CN3H6
Inorganic: SnI4, Tin iodide
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 2 , N : 6 , H : 12 , Sn : 1 , I : 4
Atomic structure
Origin: experimental
Space group: P-1
Lattice parameters

Crystal system: triclinic

a:9.2424 (±0.0005) Å
b:12.6314 (±0.0007) Å
c:14.3871 (±0.0008) Å
α:67.071 (±0.004)°
β:85.695 (±0.004)°
γ:88.087 (±0.004)°
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: 2D n: 1
Sample type: single crystal

Starting materials: HI, H3PO2, SnI2, solid C(NH2)3I

Product: black 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 C(NH2)3I (4mmol) was added to the solution and then evaporated by heating at 120°C. Solution was left to cool, where red rectangular crystals precipitated. After cleaned and washed with EtOH, compound converted to black oxidized species.

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, 5:47 a.m.
Entry added by: Kelly Ma
Last updated on: March 19, 2024, 5:47 a.m.
Last updated by: Kelly Ma

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Atomic coordinates



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