Structure 4518445

4518419 << 4518445 >> 4518446
Original COD entry Download CIF Download DOT

Citation: Harmer, Colin P.; Pak, Chongin; Greenfield, Joshua T.; Adeyemi, Adedoyin N.; Gamage, Eranga H.; Kovnir, Kirill (2021). Non-innocent Intercalation of Diamines into Tetragonal FeS Superconductor. ACS Applied Energy Materials, 4, pp. 42-46.

Formula: C7 H28 Fe9 N7 S10

Cell parameters:

  • a = 8.3684(5) Å
  • b = 33.246(2) Å
  • c = 20.5563(12) Å
  • α = 90°
  • β = 90.1120(10)°
  • 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 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}