2,3,4,5,6-pentafluorophenethylammoniom tin iodide : Benzene

Chemical Formula: C22H20N2F10SnI4
IUPAC: benzene 2,3,4,5,6-pentafluorophenethanaminium tin iodide
Alternate Names: (2,3,4,5,6-FPEA)2SnI4·(C6H6), (C6F5(CH2)2NH3)2SnI4·(C6H6), benzene-intercalated 2,3,4,5,6-pentafluorophenethylammonium tin iodide, benzene 2,3,4,5,6-pentafluorophenethanaminium tetraiodostannate(II)
Organic: C8H7NF5, C6H6
Inorganic: SnI4, Tin iodide
Dimensionality: 2D n: 1
Formal Stoichiometry: C : 22 , H : 20 , N : 2 , F : 10 , Sn : 1 , I : 4
Atomic structure Verified
Origin: experimental (T = 199.0 (±2.0) K)
Space group: C2/c
Lattice parameters

Crystal system: monoclinic

a:41.089 (±0.012) Å
b:6.1342 (±0.0017) Å
c:12.245 (±0.003) Å
α:90°
β:94.021°
γ:90°
Fixed parameters:
  • temperature = 199.0 (±2.0) K
D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: Methanol, benzene, (C6F5C2H4NH3)2SnI4

Product: Red plate-like crystals

Description: Crystals of (2,3,4,5,6-FPEA)2SnI4 intercalated with benzene were prepared by mixing the base layered perovskite with methanol. Then an excess of benzene was added to the solution and the solution was stirred until it became homogenous and yellow. Then it sat in an inert atmosphere for a few days and red, plate-like crystals of the system formed.

Method: Single-crystal X-ray diffraction

Description: Data was collected with the Bruker SMART CCD diffractometer using 2.4 kW tube X-ray source (Mo Kα radiation).

D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.

Extraction method: Manually extracted from a publication
Entry added on: July 21, 2020, 3:05 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 9, 2022, 3:16 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1463 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


Thermogravimetric behavior Verified
Origin: experimental
D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: Methanol, benzene, (C6F5C2H4NH3)2SnI4

Product: Red plate-like crystals

Description: Crystals of (2,3,4,5,6-FPEA)2SnI4 intercalated with benzene were prepared by mixing the base layered perovskite with methanol. Then an excess of benzene was added to the solution and the solution was stirred until it became homogenous and yellow. Then it sat in an inert atmosphere for a few days and red, plate-like crystals of the system formed.

Method: Thermogravimetric Analysis (TGA)

Description: TGA was performed with a TA Instruments TGA-2950 on the crystals that were isothermally purged in a nitrogen atmosphere at ambient temperature for 20 minutes. The temperature was then increased at a constant rate of 5 degress Celsius per minute up to 600 degrees.

D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.

Extraction method: Engauge digitizer
Entry added on: July 21, 2020, 3:08 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 9, 2022, 3:17 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1464 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!

Thermal transition behavior Verified
Differential scanning calorimetry (DSC)
Origin: experimental
D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.
System description
Dimensionality: 2D n: 1
Sample type: single crystal

Starting materials: Methanol, benzene, (C6F5C2H4NH3)2SnI4

Product: Red plate-like crystals

Description: Crystals of (2,3,4,5,6-FPEA)2SnI4 intercalated with benzene were prepared by mixing the base layered perovskite with methanol. Then an excess of benzene was added to the solution and the solution was stirred until it became homogenous and yellow. Then it sat in an inert atmosphere for a few days and red, plate-like crystals of the system formed.

Method: Differential Scanning Calorimetry (DSC)

Description: DSC was performed with a TA Instruments MDSC-2920. A heating rate of 5 degrees per minute weas used and the temperature scale was calibrated using the indium melting transition. This is power-compensated DSC where the heating rate and power supply is constant.

D. B. Mitzi, D. R. Medeiros, and P. R. L. Malenfant, Intercalated Organic−Inorganic Perovskites Stabilized by Fluoroaryl−Aryl Interactions, Inorganic Chemistry 41, 2134‑2145 (2002). doi: 10.1021/ic011190x.

Extraction method: Engauge digitizer
Entry added on: July 21, 2020, 3:09 p.m.
Entry added by: Andrew Levin NREL
Last updated on: June 9, 2022, 3:20 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 1465 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!


License

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