Structure 4003005

4003004 << 4003005 >> 4003006
Original COD entry Download CIF Download DOT

Citation: Jana, Manoj K.; Liu, Chi; Lidin, Sven; Dirkes, David J.; You, Wei; Blum, Volker; Mitzi, David B. (2019). Resolving Rotational Stacking Disorder and Electronic Level Alignment in a 2D Oligothiophene-Based Lead Iodide Perovskite. Chemistry of Materials, 31, pp. 8523-.

Formula: C12 H18 I4 N2 Pb S2

Cell parameters:

  • a = 29.7184(13) Å
  • b = 6.1756(3) Å
  • c = 12.2470(5) Å
  • α = 90°
  • β = 92.7847(10)°
  • γ = 90°

List type: interleaving

List: 1-2D

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 6

Basis: (0;1;0)

Dimensionality: 1

Formula: C22 H42 N6 S2 (C11 H21 N3 S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 6

Basis: (0;1;0)

Dimensionality: 1

Formula: C22 H42 N6 S2 (C11 H21 N3 S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 6

Basis: (0;1;0)

Dimensionality: 1

Formula: C22 H42 N6 S2 (C11 H21 N3 S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 6

Basis: (0;1;0)

Dimensionality: 1

Formula: C22 H42 N6 S2 (C11 H21 N3 S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 4, entity 5 of 6

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

Dimensionality: 2

Formula: I12 Pb2 (I6 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 5, entity 6 of 6

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

Dimensionality: 2

Formula: I12 Pb2 (I6 Pb)

Multiplicity: 1

span 1 {1 1 1}