Structure 4003227

4003226 << 4003227 >> 4003233
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 D5.2 Fe O3

Cell parameters:

  • a = 21.823(4) Å
  • b = 21.823 Å
  • c = 6.8695(22) 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, 13, 16, 21, 37, 49
  • 1, 2, 4, 5, 13, 17, 20, 27, 36, 45
  • 1, 2, 4, 7, 9, 16, 20, 26, 43, 55
  • 2, 8, 13, 20, 25, 32, 33, 38, 49, 55
  • 3, 4, 5, 7, 13, 16, 21, 37, 49, 54
  • 3, 4, 5, 13, 17, 20, 27, 36, 45, 55
  • 3, 4, 7, 9, 16, 20, 26, 43, 55, 56
  • 3, 5, 14, 18, 23, 31, 38, 36, 44, 67
  • 3, 6, 7, 6, 7, 17, 30, 39, 52, 68
  • 3, 6, 7, 16, 21, 25, 33, 42, 47, 59
  • 3, 6, 13, 14, 19, 28, 35, 35, 42, 63
  • 3, 11, 14, 21, 27, 35, 36, 41, 53, 58
  • 3, 11, 17, 21, 25, 34, 36, 41, 53, 58
  • 7, 13, 18, 24, 32, 32, 38, 50, 54, 60
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