Structure 1517467

1517466 << 1517467 >> 1517468
Original COD entry Download CIF Download DOT

Citation: Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. (2014). Comprehensive study of carbon dioxide adsorption in the metal--organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn). Chem. Sci., 5, pp. 4569-.

Formula: C4.34 H Cu O3.68

Chemical name: ?

Cell parameters:

  • a = 25.8582(7) Å
  • b = 25.8582 Å
  • c = 6.26149(20) 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: C72 H18 Cu18 O54 (C4 H Cu O3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 15, 26, 34, 45, 57, 65
  • 2, 8, 13, 20, 25, 32, 42, 51, 71, 84
  • 3, 4, 7, 15, 26, 34, 45, 57, 65, 75
  • 3, 5, 14, 18, 23, 37, 47, 52, 64, 88
  • 3, 6, 7, 16, 27, 35, 46, 58, 65, 74
  • 3, 6, 13, 16, 21, 37, 48, 54, 66, 88
  • 3, 11, 14, 21, 27, 35, 46, 54, 76, 85
  • 3, 11, 17, 21, 27, 36, 48, 58, 76, 90
  • 7, 13, 18, 24, 32, 36, 45, 69, 79, 89
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