Structure 4128038

4128037 << 4128038 >> 4128039
Original COD entry Download CIF Download DOT

Citation: Adam, Rosa; Mon, Marta; Greco, Rossella; Kalinke, Lucas H. G.; Vidal-Moya, Alejandro; Fernandez, Antonio; Winpenny, Richard E. P.; Dom\'enech-Carb\'o, Antonio; Leyva-P\'erez, Antonio; Armentano, Donatella; Pardo, Emilio; Ferrando-Soria, Jes\'us (2019). Self-Assembly of Catalytically Active Supramolecular Coordination Compounds within Metal-Organic Frameworks.. Journal of the American Chemical Society, 141, pp. 10350-10360.

Formula: C80.75 H139.75 Cu6 N15.25 Ni4 O70.75 Pd2

Cell parameters:

  • a = 35.258(10) Å
  • b = 35.258(10) Å
  • c = 15.119(4) Å
  • α = 90°
  • β = 90°
  • 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 5

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

Dimensionality: 3

Formula: C312 Cu24 N48 Ni16 O160 (C39 Cu3 N6 Ni2 O20)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 5, 6, 7, 13, 13, 16, 17
  • 1, 2, 3, 5, 7, 7, 14, 13, 16, 17
  • 1, 2, 3, 5, 8, 7, 15, 16, 15, 17
  • 1, 2, 4, 7, 10, 10, 15, 14, 18, 22
  • 1, 2, 4, 7, 12, 10, 15, 14, 18, 22
  • 1, 2, 4, 7, 14, 10, 15, 20, 16, 16
  • 1, 4, 6, 8, 10, 12, 13, 17, 18, 26
  • 1, 6, 6, 8, 16, 12, 13, 15, 22, 36
  • 2, 4, 3, 5, 10, 10, 15, 14, 18, 22
  • 2, 4, 3, 5, 12, 10, 15, 14, 18, 22
  • 2, 4, 3, 5, 14, 10, 15, 20, 16, 16
  • 2, 5, 6, 10, 13, 13, 16, 21, 26, 34
  • 2, 6, 6, 10, 13, 13, 16, 21, 26, 33
  • 2, 7, 6, 8, 12, 18, 22, 25, 27, 32
  • 2, 7, 6, 9, 12, 17, 22, 25, 28, 31
  • 2, 7, 6, 10, 16, 12, 13, 20, 27, 34
  • 2, 7, 7, 9, 14, 16, 23, 26, 26, 34
  • 2, 7, 7, 10, 11, 15, 25, 24, 25, 30
  • 2, 7, 7, 10, 14, 15, 23, 27, 26, 32
  • 2, 8, 9, 8, 10, 21, 22, 21, 27, 34
  • 3, 3, 5, 6, 7, 13, 13, 16, 17, 24
  • 3, 3, 5, 7, 7, 14, 13, 16, 17, 23
  • 3, 3, 5, 8, 7, 15, 16, 15, 17, 21
  • 3, 4, 7, 9, 13, 14, 19, 25, 25, 30
  • 3, 4, 7, 10, 10, 15, 14, 18, 22, 30
  • 3, 4, 7, 12, 10, 15, 14, 18, 22, 27
  • 3, 4, 7, 14, 10, 15, 20, 16, 16, 25
  • 3, 4, 8, 9, 13, 14, 18, 26, 25, 30
  • 3, 5, 8, 11, 11, 15, 20, 24, 27, 29
  • 3, 5, 9, 11, 11, 15, 20, 24, 27, 28
  • 3, 5, 10, 11, 10, 15, 21, 23, 22, 32
  • 3, 6, 7, 8, 13, 13, 16, 17, 24, 33
  • 3, 6, 8, 8, 14, 13, 16, 17, 23, 32
  • 3, 6, 9, 8, 15, 16, 15, 17, 21, 30
  • 3, 7, 9, 10, 12, 15, 16, 21, 27, 35
  • 3, 8, 9, 10, 12, 16, 16, 20, 27, 33
  • 3, 9, 9, 10, 15, 16, 13, 19, 31, 33
  • 4, 6, 8, 10, 12, 13, 16, 18, 28, 38
  • 4, 7, 8, 10, 16, 12, 18, 25, 25, 38
  • 5, 6, 8, 10, 12, 13, 17, 18, 26, 38
  • 6, 6, 7, 9, 14, 22, 22, 25, 33, 25
  • 7, 6, 8, 16, 12, 13, 15, 22, 36, 32
span 1 {1 1 1}

CIF datablock 1, entity 2 of 5

Basis: (0;0;1)

Dimensionality: 1

Formula: C40 N8 O2 Pd2 (C20 N4 O Pd)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 5

Basis: (0;0;1)

Dimensionality: 1

Formula: C40 N8 O2 Pd2 (C20 N4 O Pd)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 5

Basis: (0;0;1)

Dimensionality: 1

Formula: C40 N8 O2 Pd2 (C20 N4 O Pd)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 4, entity 5 of 5

Basis: (0;0;1)

Dimensionality: 1

Formula: C40 N8 O2 Pd2 (C20 N4 O Pd)

Multiplicity: 1

span 1 {1 1 1}