Structure 7207746

7207744 << 7207746 >> 7207747
Original COD entry Download CIF Download DOT

Citation: Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen (2012). pH-Dependent syntheses of copper--quinoxaline--polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions. CrystEngComm, 14, pp. 3183-.

Formula: C72 H54 Cu6 N18 O80 P2 W24

Cell parameters:

  • a = 20.303(3) Å
  • b = 20.303(3) Å
  • c = 53.196(11) 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 6

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

Dimensionality: 2

Formula: C72 H54 Cu6 N18 (C12 H9 Cu N3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 5, 7, 12, 18, 18
  • 1, 2, 4, 5, 6, 7, 12, 18, 18, 14
  • 1, 2, 4, 5, 9, 15, 19, 18, 14, 14
  • 3, 4, 3, 3, 5, 7, 12, 18, 18, 14
  • 3, 4, 5, 6, 7, 12, 18, 18, 14, 14
  • 3, 4, 5, 9, 15, 19, 18, 14, 14, 24
  • 3, 6, 8, 8, 12, 18, 18, 14, 14, 24
  • 3, 6, 9, 12, 13, 12, 14, 18, 24, 26
  • 3, 6, 12, 15, 12, 9, 12, 24, 30, 24
span 1 {1 1 1}

CIF datablock 1, entity 2 of 6

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

Dimensionality: 2

Formula: C72 H54 Cu6 N18 (C12 H9 Cu N3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 5, 7, 12, 18, 18
  • 1, 2, 4, 5, 6, 7, 12, 18, 18, 14
  • 1, 2, 4, 5, 9, 15, 19, 18, 14, 14
  • 3, 4, 3, 3, 5, 7, 12, 18, 18, 14
  • 3, 4, 5, 6, 7, 12, 18, 18, 14, 14
  • 3, 4, 5, 9, 15, 19, 18, 14, 14, 24
  • 3, 6, 8, 8, 12, 18, 18, 14, 14, 24
  • 3, 6, 9, 12, 13, 12, 14, 18, 24, 26
  • 3, 6, 12, 15, 12, 9, 12, 24, 30, 24
span 1 {1 1 1}

CIF datablock 2, entity 3 of 6

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

Dimensionality: 2

Formula: C72 H54 Cu6 N18 (C12 H9 Cu N3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 5, 7, 12, 18, 18
  • 1, 2, 4, 5, 6, 7, 12, 18, 18, 14
  • 1, 2, 4, 5, 9, 15, 19, 18, 14, 14
  • 3, 4, 3, 3, 5, 7, 12, 18, 18, 14
  • 3, 4, 5, 6, 7, 12, 18, 18, 14, 14
  • 3, 4, 5, 9, 15, 19, 18, 14, 14, 24
  • 3, 6, 8, 8, 12, 18, 18, 14, 14, 24
  • 3, 6, 9, 12, 13, 12, 14, 18, 24, 26
  • 3, 6, 12, 15, 12, 9, 12, 24, 30, 24
span 1 {1 1 1}

CIF datablock 3, entity 4 of 6

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

Dimensionality: 2

Formula: C72 H54 Cu6 N18 (C12 H9 Cu N3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 5, 7, 12, 18, 18
  • 1, 2, 4, 5, 6, 7, 12, 18, 18, 14
  • 1, 2, 4, 5, 9, 15, 19, 18, 14, 14
  • 3, 4, 3, 3, 5, 7, 12, 18, 18, 14
  • 3, 4, 5, 6, 7, 12, 18, 18, 14, 14
  • 3, 4, 5, 9, 15, 19, 18, 14, 14, 24
  • 3, 6, 8, 8, 12, 18, 18, 14, 14, 24
  • 3, 6, 9, 12, 13, 12, 14, 18, 24, 26
  • 3, 6, 12, 15, 12, 9, 12, 24, 30, 24
span 1 {1 1 1}

CIF datablock 4, entity 5 of 6

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

Dimensionality: 2

Formula: C72 H54 Cu6 N18 (C12 H9 Cu N3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 5, 7, 12, 18, 18
  • 1, 2, 4, 5, 6, 7, 12, 18, 18, 14
  • 1, 2, 4, 5, 9, 15, 19, 18, 14, 14
  • 3, 4, 3, 3, 5, 7, 12, 18, 18, 14
  • 3, 4, 5, 6, 7, 12, 18, 18, 14, 14
  • 3, 4, 5, 9, 15, 19, 18, 14, 14, 24
  • 3, 6, 8, 8, 12, 18, 18, 14, 14, 24
  • 3, 6, 9, 12, 13, 12, 14, 18, 24, 26
  • 3, 6, 12, 15, 12, 9, 12, 24, 30, 24
span 1 {1 1 1}

CIF datablock 5, entity 6 of 6

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

Dimensionality: 2

Formula: C72 H54 Cu6 N18 (C12 H9 Cu N3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 5, 7, 12, 18, 18
  • 1, 2, 4, 5, 6, 7, 12, 18, 18, 14
  • 1, 2, 4, 5, 9, 15, 19, 18, 14, 14
  • 3, 4, 3, 3, 5, 7, 12, 18, 18, 14
  • 3, 4, 5, 6, 7, 12, 18, 18, 14, 14
  • 3, 4, 5, 9, 15, 19, 18, 14, 14, 24
  • 3, 6, 8, 8, 12, 18, 18, 14, 14, 24
  • 3, 6, 9, 12, 13, 12, 14, 18, 24, 26
  • 3, 6, 12, 15, 12, 9, 12, 24, 30, 24
span 1 {1 1 1}