Structure 4122452

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Citation: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; St\"uck, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. (2014). M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.. Journal of the American Chemical Society, 136, pp. 12119-.

Formula: C4 H Co D1.59 O3

Chemical name: ?

Cell parameters:

  • a = 25.8707(10) Å
  • b = 25.8707 Å
  • c = 6.8687(4) 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 Co18 O54 (C4 H Co O3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 13, 19, 25, 33, 40, 43
  • 2, 6, 9, 17, 17, 22, 28, 34, 53, 53
  • 3, 4, 7, 13, 19, 25, 33, 40, 43, 48
  • 3, 5, 12, 12, 18, 26, 31, 36, 42, 63
  • 3, 6, 7, 14, 19, 25, 34, 40, 43, 47
  • 3, 6, 11, 11, 18, 28, 34, 38, 43, 60
  • 3, 9, 9, 15, 18, 24, 30, 34, 54, 54
  • 3, 9, 11, 16, 18, 25, 32, 36, 54, 54
  • 5, 7, 13, 15, 21, 22, 28, 47, 46, 62
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