Structure 4133726

4133725 << 4133726 >> 4133727
Original COD entry Download CIF Download DOT

Citation: Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R. (2019). Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.. Journal of the American Chemical Society, 141, pp. 18325-18333.

Formula: C13.93 H13.86 Co2 O6

Cell parameters:

  • a = 25.8130(11) Å
  • b = 25.8130(11) Å
  • c = 6.8924(3) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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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