Structure 4122454

4122453 << 4122454 >> 4122455
Original COD entry Download CIF Download DOT

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 D4.49 O3

Chemical name: ?

Cell parameters:

  • a = 25.9008(11) Å
  • b = 25.9008 Å
  • c = 6.8104(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, 9, 26, 34, 43, 55, 67
  • 1, 2, 4, 7, 21, 26, 34, 47, 59, 63
  • 2, 8, 13, 20, 25, 32, 36, 61, 76, 83
  • 3, 4, 7, 9, 26, 34, 43, 55, 67, 72
  • 3, 4, 7, 21, 26, 34, 47, 59, 63, 102
  • 3, 5, 14, 18, 23, 31, 47, 53, 74, 86
  • 3, 6, 7, 16, 21, 35, 46, 56, 63, 93
  • 3, 6, 13, 16, 27, 37, 48, 56, 80, 91
  • 3, 11, 14, 21, 27, 35, 40, 66, 75, 85
  • 3, 11, 17, 21, 27, 42, 48, 69, 84, 91
  • 7, 13, 18, 24, 32, 36, 57, 71, 82, 93
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