Structure 7100847

7100845 << 7100847 >> 7100848
Original COD entry Download CIF Download DOT

Citation: Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen (2005). Molecular Chairs, Zippers, Zigzag and Helical Chains: Chemical Enumeration of Supramolecular Isomerism Based on a Predesigned Metal-Organic Building Block. Chemical Communications, , pp. -.

Formula: C12 H8 Cu N5

Cell parameters:

  • a = 16.2147(11) Å
  • b = 18.5212(12) Å
  • c = 12.5482(8) Å
  • α = 90.00°
  • β = 115.5060(10)°
  • γ = 90.00°

List type: interleaving

List: 1D

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: (0;0;1)

Dimensionality: 1

Formula: C36 H24 Cu3 N15 (C12 H8 Cu N5)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 4, 6, 9, 12, 13
  • 1, 2, 4, 3, 3, 4, 6, 10, 13, 15
  • 1, 2, 4, 3, 3, 5, 8, 12, 17, 15
  • 1, 2, 4, 3, 4, 6, 7, 9, 11, 16
  • 1, 2, 4, 3, 4, 6, 8, 9, 11, 14
  • 1, 2, 4, 3, 4, 6, 8, 11, 13, 19
  • 1, 2, 4, 5, 5, 6, 9, 12, 13, 13
  • 1, 2, 4, 5, 5, 6, 10, 13, 15, 15
  • 1, 2, 4, 5, 6, 8, 12, 17, 15, 15
  • 1, 2, 4, 6, 7, 7, 9, 11, 16, 16
  • 1, 2, 4, 6, 7, 8, 9, 11, 14, 14
  • 1, 2, 4, 6, 7, 8, 11, 13, 19, 15
  • 2, 4, 6, 10, 14, 12, 10, 10, 14, 18
  • 2, 4, 7, 11, 17, 16, 13, 15, 14, 12
  • 3, 4, 3, 3, 4, 6, 9, 12, 13, 13
  • 3, 4, 3, 3, 4, 6, 10, 13, 15, 15
  • 3, 4, 3, 3, 5, 8, 12, 17, 15, 15
  • 3, 4, 3, 4, 6, 7, 9, 11, 16, 16
  • 3, 4, 3, 4, 6, 8, 9, 11, 14, 14
  • 3, 4, 3, 4, 6, 8, 11, 13, 19, 15
  • 3, 4, 5, 5, 6, 9, 12, 13, 13, 14
  • 3, 4, 5, 5, 6, 10, 13, 15, 15, 14
  • 3, 4, 5, 6, 8, 12, 17, 15, 15, 14
  • 3, 4, 6, 7, 7, 9, 11, 16, 16, 12
  • 3, 4, 6, 7, 8, 9, 11, 14, 14, 14
  • 3, 4, 6, 7, 8, 11, 13, 19, 15, 11
  • 3, 5, 7, 11, 13, 13, 11, 12, 16, 16
  • 3, 5, 7, 11, 14, 15, 14, 14, 16, 14
  • 3, 6, 7, 7, 9, 12, 13, 13, 14, 14
  • 3, 6, 7, 7, 10, 13, 15, 15, 14, 16
  • 3, 6, 8, 9, 12, 17, 15, 15, 14, 12
  • 3, 6, 8, 14, 16, 16, 16, 13, 12, 14
  • 3, 6, 9, 13, 17, 15, 13, 16, 14, 12
  • 3, 7, 9, 8, 9, 11, 16, 16, 12, 13
  • 3, 7, 9, 9, 9, 11, 14, 14, 14, 14
  • 3, 7, 9, 9, 11, 13, 19, 15, 11, 14
  • 3, 7, 9, 15, 15, 13, 14, 14, 16, 14
  • 3, 7, 10, 15, 16, 12, 12, 16, 16, 13
  • 4, 8, 11, 12, 12, 16, 16, 12, 13, 16
  • 4, 8, 12, 12, 12, 14, 14, 14, 14, 18
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C36 H24 Cu3 N15 (C12 H8 Cu N5)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 4, 6, 9, 12, 13
  • 1, 2, 4, 3, 3, 4, 6, 10, 13, 15
  • 1, 2, 4, 3, 3, 5, 8, 12, 17, 15
  • 1, 2, 4, 3, 4, 6, 7, 9, 11, 16
  • 1, 2, 4, 3, 4, 6, 8, 9, 11, 14
  • 1, 2, 4, 3, 4, 6, 8, 11, 13, 19
  • 1, 2, 4, 5, 5, 6, 9, 12, 13, 13
  • 1, 2, 4, 5, 5, 6, 10, 13, 15, 15
  • 1, 2, 4, 5, 6, 8, 12, 17, 15, 15
  • 1, 2, 4, 6, 7, 7, 9, 11, 16, 16
  • 1, 2, 4, 6, 7, 8, 9, 11, 14, 14
  • 1, 2, 4, 6, 7, 8, 11, 13, 19, 15
  • 2, 4, 6, 10, 14, 12, 10, 10, 14, 18
  • 2, 4, 7, 11, 17, 16, 13, 15, 14, 12
  • 3, 4, 3, 3, 4, 6, 9, 12, 13, 13
  • 3, 4, 3, 3, 4, 6, 10, 13, 15, 15
  • 3, 4, 3, 3, 5, 8, 12, 17, 15, 15
  • 3, 4, 3, 4, 6, 7, 9, 11, 16, 16
  • 3, 4, 3, 4, 6, 8, 9, 11, 14, 14
  • 3, 4, 3, 4, 6, 8, 11, 13, 19, 15
  • 3, 4, 5, 5, 6, 9, 12, 13, 13, 14
  • 3, 4, 5, 5, 6, 10, 13, 15, 15, 14
  • 3, 4, 5, 6, 8, 12, 17, 15, 15, 14
  • 3, 4, 6, 7, 7, 9, 11, 16, 16, 12
  • 3, 4, 6, 7, 8, 9, 11, 14, 14, 14
  • 3, 4, 6, 7, 8, 11, 13, 19, 15, 11
  • 3, 5, 7, 11, 13, 13, 11, 12, 16, 16
  • 3, 5, 7, 11, 14, 15, 14, 14, 16, 14
  • 3, 6, 7, 7, 9, 12, 13, 13, 14, 14
  • 3, 6, 7, 7, 10, 13, 15, 15, 14, 16
  • 3, 6, 8, 9, 12, 17, 15, 15, 14, 12
  • 3, 6, 8, 14, 16, 16, 16, 13, 12, 14
  • 3, 6, 9, 13, 17, 15, 13, 16, 14, 12
  • 3, 7, 9, 8, 9, 11, 16, 16, 12, 13
  • 3, 7, 9, 9, 9, 11, 14, 14, 14, 14
  • 3, 7, 9, 9, 11, 13, 19, 15, 11, 14
  • 3, 7, 9, 15, 15, 13, 14, 14, 16, 14
  • 3, 7, 10, 15, 16, 12, 12, 16, 16, 13
  • 4, 8, 11, 12, 12, 16, 16, 12, 13, 16
  • 4, 8, 12, 12, 12, 14, 14, 14, 14, 18
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C36 H24 Cu3 N15 (C12 H8 Cu N5)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 4, 6, 9, 12, 13
  • 1, 2, 4, 3, 3, 4, 6, 10, 13, 15
  • 1, 2, 4, 3, 3, 5, 8, 12, 17, 15
  • 1, 2, 4, 3, 4, 6, 7, 9, 11, 16
  • 1, 2, 4, 3, 4, 6, 8, 9, 11, 14
  • 1, 2, 4, 3, 4, 6, 8, 11, 13, 19
  • 1, 2, 4, 5, 5, 6, 9, 12, 13, 13
  • 1, 2, 4, 5, 5, 6, 10, 13, 15, 15
  • 1, 2, 4, 5, 6, 8, 12, 17, 15, 15
  • 1, 2, 4, 6, 7, 7, 9, 11, 16, 16
  • 1, 2, 4, 6, 7, 8, 9, 11, 14, 14
  • 1, 2, 4, 6, 7, 8, 11, 13, 19, 15
  • 2, 4, 6, 10, 14, 12, 10, 10, 14, 18
  • 2, 4, 7, 11, 17, 16, 13, 15, 14, 12
  • 3, 4, 3, 3, 4, 6, 9, 12, 13, 13
  • 3, 4, 3, 3, 4, 6, 10, 13, 15, 15
  • 3, 4, 3, 3, 5, 8, 12, 17, 15, 15
  • 3, 4, 3, 4, 6, 7, 9, 11, 16, 16
  • 3, 4, 3, 4, 6, 8, 9, 11, 14, 14
  • 3, 4, 3, 4, 6, 8, 11, 13, 19, 15
  • 3, 4, 5, 5, 6, 9, 12, 13, 13, 14
  • 3, 4, 5, 5, 6, 10, 13, 15, 15, 14
  • 3, 4, 5, 6, 8, 12, 17, 15, 15, 14
  • 3, 4, 6, 7, 7, 9, 11, 16, 16, 12
  • 3, 4, 6, 7, 8, 9, 11, 14, 14, 14
  • 3, 4, 6, 7, 8, 11, 13, 19, 15, 11
  • 3, 5, 7, 11, 13, 13, 11, 12, 16, 16
  • 3, 5, 7, 11, 14, 15, 14, 14, 16, 14
  • 3, 6, 7, 7, 9, 12, 13, 13, 14, 14
  • 3, 6, 7, 7, 10, 13, 15, 15, 14, 16
  • 3, 6, 8, 9, 12, 17, 15, 15, 14, 12
  • 3, 6, 8, 14, 16, 16, 16, 13, 12, 14
  • 3, 6, 9, 13, 17, 15, 13, 16, 14, 12
  • 3, 7, 9, 8, 9, 11, 16, 16, 12, 13
  • 3, 7, 9, 9, 9, 11, 14, 14, 14, 14
  • 3, 7, 9, 9, 11, 13, 19, 15, 11, 14
  • 3, 7, 9, 15, 15, 13, 14, 14, 16, 14
  • 3, 7, 10, 15, 16, 12, 12, 16, 16, 13
  • 4, 8, 11, 12, 12, 16, 16, 12, 13, 16
  • 4, 8, 12, 12, 12, 14, 14, 14, 14, 18
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C36 H24 Cu3 N15 (C12 H8 Cu N5)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 4, 6, 9, 12, 13
  • 1, 2, 4, 3, 3, 4, 6, 10, 13, 15
  • 1, 2, 4, 3, 3, 5, 8, 12, 17, 15
  • 1, 2, 4, 3, 4, 6, 7, 9, 11, 16
  • 1, 2, 4, 3, 4, 6, 8, 9, 11, 14
  • 1, 2, 4, 3, 4, 6, 8, 11, 13, 19
  • 1, 2, 4, 5, 5, 6, 9, 12, 13, 13
  • 1, 2, 4, 5, 5, 6, 10, 13, 15, 15
  • 1, 2, 4, 5, 6, 8, 12, 17, 15, 15
  • 1, 2, 4, 6, 7, 7, 9, 11, 16, 16
  • 1, 2, 4, 6, 7, 8, 9, 11, 14, 14
  • 1, 2, 4, 6, 7, 8, 11, 13, 19, 15
  • 2, 4, 6, 10, 14, 12, 10, 10, 14, 18
  • 2, 4, 7, 11, 17, 16, 13, 15, 14, 12
  • 3, 4, 3, 3, 4, 6, 9, 12, 13, 13
  • 3, 4, 3, 3, 4, 6, 10, 13, 15, 15
  • 3, 4, 3, 3, 5, 8, 12, 17, 15, 15
  • 3, 4, 3, 4, 6, 7, 9, 11, 16, 16
  • 3, 4, 3, 4, 6, 8, 9, 11, 14, 14
  • 3, 4, 3, 4, 6, 8, 11, 13, 19, 15
  • 3, 4, 5, 5, 6, 9, 12, 13, 13, 14
  • 3, 4, 5, 5, 6, 10, 13, 15, 15, 14
  • 3, 4, 5, 6, 8, 12, 17, 15, 15, 14
  • 3, 4, 6, 7, 7, 9, 11, 16, 16, 12
  • 3, 4, 6, 7, 8, 9, 11, 14, 14, 14
  • 3, 4, 6, 7, 8, 11, 13, 19, 15, 11
  • 3, 5, 7, 11, 13, 13, 11, 12, 16, 16
  • 3, 5, 7, 11, 14, 15, 14, 14, 16, 14
  • 3, 6, 7, 7, 9, 12, 13, 13, 14, 14
  • 3, 6, 7, 7, 10, 13, 15, 15, 14, 16
  • 3, 6, 8, 9, 12, 17, 15, 15, 14, 12
  • 3, 6, 8, 14, 16, 16, 16, 13, 12, 14
  • 3, 6, 9, 13, 17, 15, 13, 16, 14, 12
  • 3, 7, 9, 8, 9, 11, 16, 16, 12, 13
  • 3, 7, 9, 9, 9, 11, 14, 14, 14, 14
  • 3, 7, 9, 9, 11, 13, 19, 15, 11, 14
  • 3, 7, 9, 15, 15, 13, 14, 14, 16, 14
  • 3, 7, 10, 15, 16, 12, 12, 16, 16, 13
  • 4, 8, 11, 12, 12, 16, 16, 12, 13, 16
  • 4, 8, 12, 12, 12, 14, 14, 14, 14, 18
span 1 {1 1 1}