Structure 4501758

4501748 << 4501758 >> 4501759
Original COD entry Download CIF Download DOT

Citation: Su, Zhi; Fan, Jian; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu (2010). Ligand-Directed and pH-Controlled Assembly of Chiral 3d−3d Heterometallic Metal−Organic Frameworks. Crystal Growth & Design, 10, pp. 3515-.

Formula: C129 H113.4 Co N30 O53.7 Zn8

Chemical name: [Zn8Co(F1)5(124-btac)6(H2O)5]-12.7(H2O)

Cell parameters:

  • a = 19.910(3) Å
  • b = 19.910(3) Å
  • c = 20.117(3) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 120.00°

List type: interleaving

List: 2D

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 4

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

Dimensionality: 2

Formula: C84 H42 N12 O36 Zn6 (C14 H7 N2 O6 Zn)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 7, 7, 11, 9, 14, 21, 20
  • 1, 2, 3, 7, 9, 10, 11, 14, 20, 17
  • 1, 2, 3, 7, 9, 12, 10, 16, 21, 19
  • 1, 2, 4, 4, 7, 6, 11, 14, 16, 19
  • 1, 2, 4, 5, 4, 6, 8, 15, 18, 23
  • 1, 2, 4, 5, 5, 10, 9, 17, 21, 12
  • 1, 2, 4, 5, 6, 5, 10, 16, 21, 19
  • 1, 2, 4, 7, 5, 7, 11, 20, 19, 23
  • 1, 2, 4, 7, 7, 9, 11, 20, 17, 14
  • 1, 2, 4, 7, 9, 6, 10, 8, 15, 15
  • 2, 5, 6, 12, 9, 13, 17, 12, 17, 27
  • 2, 5, 6, 12, 11, 12, 16, 13, 18, 23
  • 2, 5, 6, 12, 11, 14, 15, 13, 20, 25
  • 3, 3, 7, 7, 11, 9, 14, 21, 20, 23
  • 3, 3, 7, 9, 10, 11, 14, 20, 17, 23
  • 3, 3, 7, 9, 12, 10, 16, 21, 19, 22
  • 3, 4, 4, 7, 6, 11, 14, 16, 19, 14
  • 3, 4, 5, 4, 6, 8, 15, 18, 23, 27
  • 3, 4, 5, 5, 10, 9, 17, 21, 12, 14
  • 3, 4, 5, 6, 5, 10, 16, 21, 19, 26
  • 3, 4, 7, 5, 7, 11, 20, 19, 23, 30
  • 3, 4, 7, 7, 9, 11, 20, 17, 14, 14
  • 3, 4, 7, 9, 6, 10, 8, 15, 15, 30
  • 3, 6, 4, 6, 7, 12, 13, 22, 27, 21
  • 3, 6, 6, 5, 9, 13, 16, 17, 24, 22
  • 3, 6, 6, 6, 8, 14, 10, 18, 19, 20
  • 3, 6, 6, 7, 8, 15, 17, 21, 22, 24
  • 3, 6, 7, 7, 11, 7, 12, 12, 24, 25
  • 3, 7, 5, 8, 10, 15, 18, 16, 12, 17
  • 4, 5, 10, 8, 14, 17, 11, 13, 19, 24
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: C84 H42 N12 O36 Zn6 (C14 H7 N2 O6 Zn)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 7, 7, 11, 9, 14, 21, 20
  • 1, 2, 3, 7, 9, 10, 11, 14, 20, 17
  • 1, 2, 3, 7, 9, 12, 10, 16, 21, 19
  • 1, 2, 4, 4, 7, 6, 11, 14, 16, 19
  • 1, 2, 4, 5, 4, 6, 8, 15, 18, 23
  • 1, 2, 4, 5, 5, 10, 9, 17, 21, 12
  • 1, 2, 4, 5, 6, 5, 10, 16, 21, 19
  • 1, 2, 4, 7, 5, 7, 11, 20, 19, 23
  • 1, 2, 4, 7, 7, 9, 11, 20, 17, 14
  • 1, 2, 4, 7, 9, 6, 10, 8, 15, 15
  • 2, 5, 6, 12, 9, 13, 17, 12, 17, 27
  • 2, 5, 6, 12, 11, 12, 16, 13, 18, 23
  • 2, 5, 6, 12, 11, 14, 15, 13, 20, 25
  • 3, 3, 7, 7, 11, 9, 14, 21, 20, 23
  • 3, 3, 7, 9, 10, 11, 14, 20, 17, 23
  • 3, 3, 7, 9, 12, 10, 16, 21, 19, 22
  • 3, 4, 4, 7, 6, 11, 14, 16, 19, 14
  • 3, 4, 5, 4, 6, 8, 15, 18, 23, 27
  • 3, 4, 5, 5, 10, 9, 17, 21, 12, 14
  • 3, 4, 5, 6, 5, 10, 16, 21, 19, 26
  • 3, 4, 7, 5, 7, 11, 20, 19, 23, 30
  • 3, 4, 7, 7, 9, 11, 20, 17, 14, 14
  • 3, 4, 7, 9, 6, 10, 8, 15, 15, 30
  • 3, 6, 4, 6, 7, 12, 13, 22, 27, 21
  • 3, 6, 6, 5, 9, 13, 16, 17, 24, 22
  • 3, 6, 6, 6, 8, 14, 10, 18, 19, 20
  • 3, 6, 6, 7, 8, 15, 17, 21, 22, 24
  • 3, 6, 7, 7, 11, 7, 12, 12, 24, 25
  • 3, 7, 5, 8, 10, 15, 18, 16, 12, 17
  • 4, 5, 10, 8, 14, 17, 11, 13, 19, 24
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

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

Dimensionality: 2

Formula: C45 H36 Co N18 O5 Zn2 (C45 H36 Co N18 O5 Zn2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

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

Dimensionality: 2

Formula: C45 H36 Co N18 O5 Zn2 (C45 H36 Co N18 O5 Zn2)

Multiplicity: 1

span 1 {1 1 1}