Structure 4003224

4003223 << 4003224 >> 4003225
Original COD entry Download CIF Download DOT

Citation: Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R. (2016). Hydrogen Storage in the Expanded Pore Metal--Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn). Chemistry of Materials, 28, pp. 1128-.

Formula: C7 H D7.64 Fe O3

Cell parameters:

  • a = 21.813(5) Å
  • b = 21.813 Å
  • c = 6.8688(21) Å
  • α = 90.0°
  • β = 90.0°
  • γ = 120.0°

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: C42 H6 D12 Fe6 O18 (C7 H D2 Fe O3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 5, 7, 11, 11, 18, 28, 35
  • 1, 2, 4, 5, 11, 12, 17, 20, 28, 32
  • 1, 2, 4, 7, 9, 14, 14, 21, 32, 38
  • 2, 6, 9, 17, 17, 22, 21, 28, 32, 36
  • 3, 4, 5, 7, 11, 11, 18, 28, 35, 38
  • 3, 4, 5, 11, 12, 17, 20, 28, 32, 39
  • 3, 4, 7, 9, 14, 14, 21, 32, 38, 37
  • 3, 5, 12, 12, 18, 22, 27, 22, 31, 45
  • 3, 6, 7, 6, 7, 15, 22, 28, 38, 48
  • 3, 6, 7, 14, 15, 20, 24, 31, 31, 40
  • 3, 6, 11, 9, 16, 21, 27, 24, 32, 42
  • 3, 9, 9, 15, 18, 24, 22, 28, 33, 36
  • 3, 9, 11, 16, 16, 23, 22, 28, 33, 36
  • 5, 7, 13, 15, 21, 18, 25, 30, 32, 34
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