Structure 4127642

4127641 << 4127642 >> 4127643
Original COD entry Download CIF Download DOT

Citation: Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mika\"el; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G. (2019). From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.. Journal of the American Chemical Society, 141, pp. 10661-10676.

Formula: C9 H38 I13 N5 Pb4

Cell parameters:

  • a = 62.405(5) Å
  • b = 8.9358(7) Å
  • c = 8.8712(6) Å
  • α = 90°
  • β = 92.947(6)°
  • 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 0, entity 1 of 4

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

Dimensionality: 2

Formula: I20 Pb6 (I10 Pb3)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: I20 Pb6 (I10 Pb3)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 10, entity 11 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 11, entity 12 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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