Structure 1564910

1564901 << 1564910 >> 1564911
Original COD entry Download CIF Download DOT

Citation: Bara, Dominic; Meekel, Emily G.; Pakamor\.e, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S. (2021). Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.. Materials horizons, 8, pp. 3377-3386.

Formula: C24 H15 Br3 Fe3 O16

Cell parameters:

  • a = 16.3069(11) Å
  • b = 16.3069(11) Å
  • c = 52.852(4) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: C288 Br192 Fe24 O128 (C36 Br24 Fe3 O16)

Multiplicity: 1

Coordination sequences:

  • 1, 5, 6, 14, 18, 34, 32, 30, 32, 44
  • 1, 5, 6, 14, 18, 34, 36, 24, 30, 50
  • 1, 5, 7, 10, 15, 23, 31, 39, 45, 70
  • 2, 6, 11, 15, 19, 23, 32, 49, 58, 75
  • 2, 7, 9, 20, 22, 27, 32, 36, 48, 53
  • 2, 7, 9, 20, 22, 31, 34, 31, 46, 60
  • 2, 7, 9, 20, 23, 31, 31, 34, 46, 55
  • 3, 6, 17, 14, 17, 27, 48, 46, 43, 52
  • 3, 6, 17, 15, 19, 26, 46, 44, 41, 52
  • 3, 7, 9, 14, 17, 27, 39, 42, 56, 71
  • 3, 15, 6, 6, 24, 48, 30, 26, 32, 56
  • 4, 6, 9, 14, 17, 27, 39, 42, 56, 71
  • 4, 6, 9, 15, 18, 24, 38, 44, 52, 76
  • 4, 8, 10, 11, 22, 30, 38, 47, 60, 83
  • 5, 5, 9, 15, 18, 24, 38, 44, 52, 76
  • 5, 9, 10, 11, 25, 35, 35, 47, 70, 80
  • 5, 9, 11, 13, 24, 32, 33, 45, 72, 84
  • 5, 10, 10, 16, 19, 28, 47, 55, 51, 71
  • 5, 10, 11, 18, 18, 26, 45, 52, 51, 77
  • 6, 6, 14, 18, 34, 32, 30, 32, 44, 94
  • 6, 6, 14, 18, 34, 36, 24, 30, 50, 96
  • 6, 7, 10, 15, 23, 31, 39, 45, 70, 85
  • 6, 8, 10, 11, 25, 35, 35, 47, 70, 80
  • 6, 8, 11, 13, 24, 32, 33, 45, 72, 84
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