Structure 2018764

2018762 << 2018764 >> 2018771
Original COD entry Download CIF Download DOT

Citation: Cai, Hua; Guo, Ying; Li, Jian-Gang (2013). Controllable assembly of a three-dimensional metal--organic supramolecular framework including \p--\p stacking interactions. Acta Crystallographica Section C, 69, pp. 8-10.

Formula: C24 H16 Cu2 N6 O4

Chemical name: poly[(\m~3~-phthalato)[\m~2~-3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1-ido]dicopper(II)]

Cell parameters:

  • a = 7.752(2) Å
  • b = 20.566(7) Å
  • c = 14.141(4) Å
  • α = 90.00°
  • β = 99.639(6)°
  • γ = 90.00°

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 2

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

Dimensionality: 2

Formula: C48 H32 Cu4 N12 O8 (C12 H8 Cu N3 O2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 8, 12, 14, 19, 24, 37, 37
  • 1, 2, 4, 3, 3, 3, 6, 14, 24, 32
  • 1, 2, 4, 3, 3, 4, 8, 17, 27, 32
  • 1, 2, 4, 3, 3, 5, 5, 8, 8, 15
  • 1, 2, 4, 3, 3, 6, 6, 9, 9, 16
  • 1, 2, 4, 3, 4, 5, 8, 9, 12, 20
  • 1, 2, 4, 3, 5, 6, 10, 10, 14, 22
  • 1, 2, 4, 4, 9, 10, 12, 12, 20, 28
  • 1, 2, 4, 5, 4, 6, 14, 24, 32, 32
  • 1, 2, 4, 5, 5, 8, 17, 27, 32, 25
  • 1, 2, 4, 5, 6, 5, 8, 8, 15, 20
  • 1, 2, 4, 5, 7, 6, 9, 9, 16, 22
  • 1, 2, 4, 5, 9, 12, 15, 15, 23, 29
  • 1, 2, 4, 6, 6, 8, 9, 12, 20, 20
  • 1, 2, 4, 6, 9, 13, 15, 16, 24, 26
  • 1, 2, 4, 7, 7, 10, 10, 14, 22, 19
  • 2, 5, 9, 17, 22, 18, 23, 22, 33, 36
  • 2, 6, 9, 15, 17, 14, 24, 29, 42, 45
  • 2, 6, 10, 18, 22, 19, 25, 20, 34, 44
  • 3, 3, 8, 12, 14, 19, 24, 37, 37, 35
  • 3, 4, 3, 3, 3, 6, 14, 24, 32, 32
  • 3, 4, 3, 3, 4, 8, 17, 27, 32, 25
  • 3, 4, 3, 3, 5, 5, 8, 8, 15, 20
  • 3, 4, 3, 3, 6, 6, 9, 9, 16, 22
  • 3, 4, 3, 4, 5, 8, 9, 12, 20, 20
  • 3, 4, 3, 5, 6, 10, 10, 14, 22, 19
  • 3, 4, 4, 9, 10, 12, 12, 20, 28, 27
  • 3, 4, 5, 4, 6, 14, 24, 32, 32, 30
  • 3, 4, 5, 5, 8, 17, 27, 32, 25, 30
  • 3, 4, 5, 6, 5, 8, 8, 15, 20, 25
  • 3, 4, 5, 7, 6, 9, 9, 16, 22, 23
  • 3, 4, 5, 9, 12, 15, 15, 23, 29, 29
  • 3, 4, 6, 6, 8, 9, 12, 20, 20, 26
  • 3, 4, 6, 9, 13, 15, 16, 24, 26, 34
  • 3, 4, 7, 7, 10, 10, 14, 22, 19, 29
  • 3, 4, 11, 18, 22, 25, 20, 30, 27, 37
  • 3, 6, 6, 7, 14, 24, 32, 32, 30, 35
  • 3, 6, 7, 9, 10, 11, 16, 24, 29, 29
  • 3, 6, 7, 9, 17, 27, 32, 25, 30, 32
  • 3, 6, 8, 6, 8, 8, 15, 20, 25, 31
  • 3, 6, 8, 9, 11, 11, 17, 25, 26, 34
  • 3, 6, 9, 7, 9, 9, 16, 22, 23, 33
  • 3, 7, 8, 9, 9, 12, 20, 20, 26, 31
  • 3, 7, 10, 11, 16, 16, 23, 29, 29, 36
  • 3, 7, 10, 13, 13, 16, 24, 29, 29, 36
  • 3, 8, 9, 11, 10, 14, 22, 19, 29, 37
  • 3, 8, 10, 12, 16, 17, 24, 26, 34, 40
  • 3, 8, 10, 14, 13, 17, 25, 26, 34, 40
  • 4, 7, 11, 13, 13, 20, 20, 26, 31, 36
  • 5, 8, 13, 14, 15, 22, 19, 29, 37, 52
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: C48 H32 Cu4 N12 O8 (C12 H8 Cu N3 O2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 8, 12, 14, 19, 24, 37, 37
  • 1, 2, 4, 3, 3, 3, 6, 14, 24, 32
  • 1, 2, 4, 3, 3, 4, 8, 17, 27, 32
  • 1, 2, 4, 3, 3, 5, 5, 8, 8, 15
  • 1, 2, 4, 3, 3, 6, 6, 9, 9, 16
  • 1, 2, 4, 3, 4, 5, 8, 9, 12, 20
  • 1, 2, 4, 3, 5, 6, 10, 10, 14, 22
  • 1, 2, 4, 4, 9, 10, 12, 12, 20, 28
  • 1, 2, 4, 5, 4, 6, 14, 24, 32, 32
  • 1, 2, 4, 5, 5, 8, 17, 27, 32, 25
  • 1, 2, 4, 5, 6, 5, 8, 8, 15, 20
  • 1, 2, 4, 5, 7, 6, 9, 9, 16, 22
  • 1, 2, 4, 5, 9, 12, 15, 15, 23, 29
  • 1, 2, 4, 6, 6, 8, 9, 12, 20, 20
  • 1, 2, 4, 6, 9, 13, 15, 16, 24, 26
  • 1, 2, 4, 7, 7, 10, 10, 14, 22, 19
  • 2, 5, 9, 17, 22, 18, 23, 22, 33, 36
  • 2, 6, 9, 15, 17, 14, 24, 29, 42, 45
  • 2, 6, 10, 18, 22, 19, 25, 20, 34, 44
  • 3, 3, 8, 12, 14, 19, 24, 37, 37, 35
  • 3, 4, 3, 3, 3, 6, 14, 24, 32, 32
  • 3, 4, 3, 3, 4, 8, 17, 27, 32, 25
  • 3, 4, 3, 3, 5, 5, 8, 8, 15, 20
  • 3, 4, 3, 3, 6, 6, 9, 9, 16, 22
  • 3, 4, 3, 4, 5, 8, 9, 12, 20, 20
  • 3, 4, 3, 5, 6, 10, 10, 14, 22, 19
  • 3, 4, 4, 9, 10, 12, 12, 20, 28, 27
  • 3, 4, 5, 4, 6, 14, 24, 32, 32, 30
  • 3, 4, 5, 5, 8, 17, 27, 32, 25, 30
  • 3, 4, 5, 6, 5, 8, 8, 15, 20, 25
  • 3, 4, 5, 7, 6, 9, 9, 16, 22, 23
  • 3, 4, 5, 9, 12, 15, 15, 23, 29, 29
  • 3, 4, 6, 6, 8, 9, 12, 20, 20, 26
  • 3, 4, 6, 9, 13, 15, 16, 24, 26, 34
  • 3, 4, 7, 7, 10, 10, 14, 22, 19, 29
  • 3, 4, 11, 18, 22, 25, 20, 30, 27, 37
  • 3, 6, 6, 7, 14, 24, 32, 32, 30, 35
  • 3, 6, 7, 9, 10, 11, 16, 24, 29, 29
  • 3, 6, 7, 9, 17, 27, 32, 25, 30, 32
  • 3, 6, 8, 6, 8, 8, 15, 20, 25, 31
  • 3, 6, 8, 9, 11, 11, 17, 25, 26, 34
  • 3, 6, 9, 7, 9, 9, 16, 22, 23, 33
  • 3, 7, 8, 9, 9, 12, 20, 20, 26, 31
  • 3, 7, 10, 11, 16, 16, 23, 29, 29, 36
  • 3, 7, 10, 13, 13, 16, 24, 29, 29, 36
  • 3, 8, 9, 11, 10, 14, 22, 19, 29, 37
  • 3, 8, 10, 12, 16, 17, 24, 26, 34, 40
  • 3, 8, 10, 14, 13, 17, 25, 26, 34, 40
  • 4, 7, 11, 13, 13, 20, 20, 26, 31, 36
  • 5, 8, 13, 14, 15, 22, 19, 29, 37, 52
span 1 {1 1 1}