Structure 7105274

7105260 << 7105274 >> 7105275
Original COD entry Download CIF Download DOT

Citation: Wu, Min; Rhee, Jessica; Emge, Thomas J; Yao, Hongbin; Cheng, Jen-Hau; Thiagarajan, Suraj; Croft, Mark; Yang, Ronggui; Li, Jing (2010). A low band gap iron sulfide hybrid semiconductor with unique 2D [Fe(16)S(20)](8-) layer and reduced thermal conductivity.. Chemical communications (Cambridge, England), 46, pp. 1649-1651.

Formula: C14 H58 Fe18 N14 S20

Cell parameters:

  • a = 8.3836(15) Å
  • b = 33.209(6) Å
  • c = 20.450(4) Å
  • α = 90.00°
  • β = 90.314(4)°
  • γ = 90.00°

List type: interleaving

List: 2D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

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

Dimensionality: 2

Formula: Fe32 S40 (Fe4 S5)

Multiplicity: 1

Coordination sequences:

  • 3, 12, 16, 23, 30, 33, 42, 48, 51, 59
  • 4, 12, 16, 28, 24, 36, 48, 44, 48, 68
  • 7, 11, 17, 25, 29, 35, 43, 47, 53, 61
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: Fe32 S40 (Fe4 S5)

Multiplicity: 1

Coordination sequences:

  • 3, 12, 16, 23, 30, 33, 42, 48, 51, 59
  • 4, 12, 16, 28, 24, 36, 48, 44, 48, 68
  • 7, 11, 17, 25, 29, 35, 43, 47, 53, 61
span 1 {1 1 1}