G. C. Papavassiliou, G. A. Mousdis, C. P. Raptopoulou, and A. Terzis, Preparation and Characterization of [C6H5CH2 NH3]2PbI4, [C6H5CH2CH2SC(NH2)2]3 PbI5 and [C10H7CH2NH3]PbI3 Organic-Inorganic Hybrid Compounds, Z. Naturforsch 54 b, 1405‑1409 (1999). doi: 10.1515/znb-1999-1112.
Bis(phenylmethylammonium) lead iodide: atomic structure Verified

See all entries for this property (2 total)

Origin: experimental (T = 298.0 K)
Space group: P b c a
Lattice parameters

Crystal system: orthorhombic

a:8.689 (±0.005) Å
b:28.78 (±0.01) Å
c:9.162 (±0.004) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 298.0 K
G. C. Papavassiliou, G. A. Mousdis, C. P. Raptopoulou, and A. Terzis, Preparation and Characterization of [C6H5CH2 NH3]2PbI4, [C6H5CH2CH2SC(NH2)2]3 PbI5 and [C10H7CH2NH3]PbI3 Organic-Inorganic Hybrid Compounds, Z. Naturforsch 54 b, 1405‑1409 (1999). doi: 10.1515/znb-1999-1112.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: PbI2 (Johnson Matthey, 976204), PbO (Ferak 01-881), hydroiodic acid 57% (Merck 341), H3PO2 50% (Fluka 9421), benzylamine (Fluka 13180)

Product: Orange plate crystals

Description: To prepare C6H5CH2NH3I, treat benzylamine with aq.HI 57% in the presence of H3PO2 and recrystallize the precipitate from acetonitrile. Treat C6H5CH2NH3I and PbI2 in molar ratio 2:1 in CH3CN or DMF to obtain small crystals. Dissolve C6H5CH2NH2 (107 mg, 1 mmol) and PbO (111.5 mg, 0.5 mmol) in aq. HI (57%) in the presence of H3PO2 at reflux temperature to obtain large crystals. Slowly cool the solution and obtain the crystals several hours later, filter and dry in air.

Method: X-ray diffraction

Description: Collect on a Crystal Logic dual goniometer using graphite monochromated MoKa radiation. Unit cell dimensions were determined and refined by using the angular setting of 24 automatically centered reflections in the range 11° < 29 < 24°. Intensity data were recorded using a Theta-2theta scan. Refer to page 1406 for details.

Extraction method: Manual entry
Entry added on: April 15, 2019, 9:54 p.m.
Entry added by: Xiaochen Du Duke University
Last updated on: June 22, 2022, 10:12 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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