Structure 1517473

1517472 << 1517473 >> 1517474
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 H Mn O3

Chemical name: ?

Cell parameters:

  • a = 26.3331(17) Å
  • b = 26.3331 Å
  • c = 7.0477(5) 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 Mn18 O54 (C4 H Mn 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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