Structure 4127726

4127725 << 4127726 >> 4127727
Original COD entry Download CIF Download DOT

Citation: Li, Xiaotong; Ke, Weijun; Traor\'e, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mika\"el; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G. (2019). Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.. Journal of the American Chemical Society, 141, pp. 12880-12890.

Formula: C7 H16 I7 N3 Pb2

Cell parameters:

  • a = 34.678(4) Å
  • b = 8.7791(10) Å
  • c = 8.7644(9) Å
  • α = 90°
  • β = 104.536(8)°
  • 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 4

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 4

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

Dimensionality: 2

Formula: I8 Pb2 (I4 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 6, entity 7 of 4

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 7, entity 8 of 4

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
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