Structure 4129481

4129480 << 4129481 >> 4129482
Original COD entry Download CIF Download DOT

Citation: Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J. (2015). Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.. Journal of the American Chemical Society, 137, pp. 12045-12049.

Formula: C60.4 H50 Co2 N10.4 O16.8

Cell parameters:

  • a = 10.2416(6) Å
  • b = 24.9560(15) Å
  • c = 11.4453(7) Å
  • α = 90°
  • β = 91.106(3)°
  • γ = 90°

List type: interleaving

List: 1-3D

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 3

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: C92 H76 Co4 N12 O12 (C23 H19 Co N3 O3)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (1;0;0)

Dimensionality: 1

Formula: C18 H15 N3 O6 (C6 H5 N O2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 7, 7, 8, 9, 10, 16, 12, 7
  • 1, 2, 8, 10, 10, 12, 13, 11, 10, 4
  • 1, 3, 6, 8, 5, 11, 15, 9, 13, 8
  • 1, 3, 8, 9, 13, 10, 6, 7, 13, 12
  • 1, 4, 7, 9, 6, 9, 11, 6, 10, 8
  • 1, 4, 8, 12, 9, 9, 7, 7, 13, 12
  • 1, 4, 8, 13, 11, 6, 7, 10, 7, 13
  • 1, 5, 6, 6, 9, 8, 7, 9, 8, 11
  • 2, 3, 5, 10, 12, 11, 8, 8, 9, 8
  • 2, 3, 7, 7, 8, 9, 5, 8, 11, 7
  • 2, 3, 9, 8, 11, 10, 8, 9, 12, 12
  • 2, 5, 11, 14, 7, 8, 9, 8, 9, 12
  • 3, 5, 9, 9, 12, 8, 12, 10, 10, 11
  • 3, 6, 8, 10, 7, 11, 13, 10, 10, 11
  • 3, 6, 10, 9, 11, 10, 4, 11, 14, 10
  • 3, 6, 12, 10, 8, 6, 9, 9, 11, 14
  • 3, 7, 7, 8, 9, 10, 16, 12, 7, 6
  • 3, 8, 7, 9, 8, 7, 9, 8, 11, 8
  • 3, 8, 10, 10, 12, 13, 11, 10, 4, 8
  • 3, 8, 11, 9, 11, 9, 8, 9, 8, 9
  • 4, 4, 5, 11, 13, 9, 11, 7, 9, 8
  • 4, 5, 7, 7, 10, 5, 7, 10, 9, 9
  • 4, 6, 8, 5, 11, 15, 9, 13, 8, 6
  • 4, 8, 9, 11, 14, 11, 10, 7, 9, 5
  • 4, 8, 9, 13, 10, 6, 7, 13, 12, 12
  • 5, 5, 10, 12, 11, 8, 8, 9, 8, 9
  • 5, 6, 6, 12, 11, 12, 10, 7, 9, 8
  • 5, 6, 8, 10, 6, 10, 13, 10, 10, 11
  • 5, 7, 7, 8, 9, 5, 8, 11, 7, 13
  • 5, 7, 9, 6, 9, 11, 6, 10, 8, 9
  • 5, 8, 12, 9, 9, 7, 7, 13, 12, 12
  • 5, 8, 13, 11, 6, 7, 10, 7, 13, 13
  • 5, 9, 8, 11, 10, 8, 9, 12, 12, 9
  • 5, 10, 14, 8, 6, 10, 7, 10, 8, 12
  • 5, 11, 10, 10, 11, 6, 10, 8, 9, 8
  • 6, 5, 11, 14, 10, 11, 7, 9, 8, 9
  • 6, 6, 6, 9, 8, 7, 9, 8, 11, 8
  • 6, 7, 8, 8, 7, 5, 8, 11, 7, 13
  • 6, 7, 10, 10, 8, 12, 13, 8, 9, 8
  • 6, 7, 11, 6, 12, 9, 9, 12, 12, 9
  • 6, 9, 11, 10, 5, 8, 11, 7, 13, 13
  • 6, 10, 12, 8, 5, 8, 11, 7, 13, 13
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (1;0;0)

Dimensionality: 1

Formula: C18 H15 N3 O6 (C6 H5 N O2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 7, 7, 8, 9, 10, 16, 12, 7
  • 1, 2, 8, 10, 10, 12, 13, 11, 10, 4
  • 1, 3, 6, 8, 5, 11, 15, 9, 13, 8
  • 1, 3, 8, 9, 13, 10, 6, 7, 13, 12
  • 1, 4, 7, 9, 6, 9, 11, 6, 10, 8
  • 1, 4, 8, 12, 9, 9, 7, 7, 13, 12
  • 1, 4, 8, 13, 11, 6, 7, 10, 7, 13
  • 1, 5, 6, 6, 9, 8, 7, 9, 8, 11
  • 2, 3, 5, 10, 12, 11, 8, 8, 9, 8
  • 2, 3, 7, 7, 8, 9, 5, 8, 11, 7
  • 2, 3, 9, 8, 11, 10, 8, 9, 12, 12
  • 2, 5, 11, 14, 7, 8, 9, 8, 9, 12
  • 3, 5, 9, 9, 12, 8, 12, 10, 10, 11
  • 3, 6, 8, 10, 7, 11, 13, 10, 10, 11
  • 3, 6, 10, 9, 11, 10, 4, 11, 14, 10
  • 3, 6, 12, 10, 8, 6, 9, 9, 11, 14
  • 3, 7, 7, 8, 9, 10, 16, 12, 7, 6
  • 3, 8, 7, 9, 8, 7, 9, 8, 11, 8
  • 3, 8, 10, 10, 12, 13, 11, 10, 4, 8
  • 3, 8, 11, 9, 11, 9, 8, 9, 8, 9
  • 4, 4, 5, 11, 13, 9, 11, 7, 9, 8
  • 4, 5, 7, 7, 10, 5, 7, 10, 9, 9
  • 4, 6, 8, 5, 11, 15, 9, 13, 8, 6
  • 4, 8, 9, 11, 14, 11, 10, 7, 9, 5
  • 4, 8, 9, 13, 10, 6, 7, 13, 12, 12
  • 5, 5, 10, 12, 11, 8, 8, 9, 8, 9
  • 5, 6, 6, 12, 11, 12, 10, 7, 9, 8
  • 5, 6, 8, 10, 6, 10, 13, 10, 10, 11
  • 5, 7, 7, 8, 9, 5, 8, 11, 7, 13
  • 5, 7, 9, 6, 9, 11, 6, 10, 8, 9
  • 5, 8, 12, 9, 9, 7, 7, 13, 12, 12
  • 5, 8, 13, 11, 6, 7, 10, 7, 13, 13
  • 5, 9, 8, 11, 10, 8, 9, 12, 12, 9
  • 5, 10, 14, 8, 6, 10, 7, 10, 8, 12
  • 5, 11, 10, 10, 11, 6, 10, 8, 9, 8
  • 6, 5, 11, 14, 10, 11, 7, 9, 8, 9
  • 6, 6, 6, 9, 8, 7, 9, 8, 11, 8
  • 6, 7, 8, 8, 7, 5, 8, 11, 7, 13
  • 6, 7, 10, 10, 8, 12, 13, 8, 9, 8
  • 6, 7, 11, 6, 12, 9, 9, 12, 12, 9
  • 6, 9, 11, 10, 5, 8, 11, 7, 13, 13
  • 6, 10, 12, 8, 5, 8, 11, 7, 13, 13
span 1 {1 1 1}