Structure 4345097

4345096 << 4345097 >> 4345098
Original COD entry Download CIF Download DOT

Citation: Slavney, Adam H.; Smaha, Rebecca W.; Smith, Ian C.; Jaffe, Adam; Umeyama, Daiki; Karunadasa, Hemamala I. (2017). Chemical Approaches to Addressing the Instability and Toxicity of Lead-Halide Perovskite Absorbers.. Inorganic chemistry, 56, pp. 46-55.

Formula: C18 H34 F2 I10 N4 Pb3

Chemical name: bis(4-fluorophenethylammonium) bis(methylammonium) decaiodo triplumbate

Cell parameters:

  • a = 29.0119(18) Å
  • b = 8.6827(5) Å
  • c = 8.7609(6) Å
  • α = 90°
  • β = 95.003(4)°
  • γ = 90°

List type: interleaving

List: 2D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 4, entity 5 of 3

Basis: (0;1;0 0;0;1)

Dimensionality: 2

Formula: I8 Pb2 (I4 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 5, entity 6 of 3

Basis: (0;1;0 0;0;1)

Dimensionality: 2

Formula: I6 Pb2 (I3 Pb)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 4, 16, 8, 28, 12, 40, 16, 52
  • 2, 8, 6, 22, 10, 34, 14, 46, 18, 58
  • 5, 4, 16, 8, 28, 12, 40, 16, 52, 20
span 1 {1 1 1}

CIF datablock 6, entity 7 of 3

Basis: (0;1;0 0;0;1)

Dimensionality: 2

Formula: I6 Pb2 (I3 Pb)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 4, 16, 8, 28, 12, 40, 16, 52
  • 2, 8, 6, 22, 10, 34, 14, 46, 18, 58
  • 5, 4, 16, 8, 28, 12, 40, 16, 52, 20
span 1 {1 1 1}