Structure 4122451

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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 D5.77 Ni O3

Chemical name: ?

Cell parameters:

  • a = 25.802(5) Å
  • b = 25.802 Å
  • c = 6.7613(17) Å
  • α = 90.0°
  • β = 90.0°
  • γ = 120.0°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
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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 H36 Ni18 O54 (C4 H2 Ni O3)

Multiplicity: 1

span 1 {1 1 1}