Structure 4505572

4505571 << 4505572 >> 4505573
Original COD entry Download CIF Download DOT

Citation: Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; P\'erez-Y\'a\~nez, Sonia; Rom\'an, Pascual (2012). Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures. Crystal Growth & Design, 12, pp. 1501-.

Formula: C14 H12 In N5 O8

Chemical name: poly-[dimethylammonium (mu-pyridazine-3,6-dicarboxylato)-k2N,O:kO')indate(III)]

Cell parameters:

  • a = 15.380(1) Å
  • b = 15.380(1) Å
  • c = 52.911(1) Å
  • α = 90.000°
  • β = 90.000°
  • γ = 120.000°

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: C36 H12 In3 N12 O24 (C12 H4 In N4 O8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 7, 7, 8, 9, 10, 12, 24
  • 1, 2, 3, 8, 10, 14, 14, 16, 12, 24
  • 1, 2, 4, 4, 4, 9, 12, 15, 15, 18
  • 1, 2, 4, 5, 6, 6, 12, 14, 17, 15
  • 2, 4, 10, 8, 12, 14, 17, 15, 25, 22
  • 2, 7, 7, 10, 9, 11, 8, 22, 26, 28
  • 2, 7, 9, 11, 11, 15, 11, 23, 26, 28
  • 3, 3, 7, 7, 8, 9, 10, 12, 24, 27
  • 3, 3, 8, 10, 14, 14, 16, 12, 24, 24
  • 3, 4, 4, 4, 9, 12, 15, 15, 18, 11
  • 3, 4, 5, 6, 6, 12, 14, 17, 15, 25
  • 3, 5, 4, 11, 13, 15, 15, 18, 11, 27
  • 3, 6, 6, 6, 9, 8, 14, 14, 25, 26
  • 3, 8, 9, 10, 8, 14, 14, 25, 26, 27
  • 6, 8, 10, 10, 12, 8, 22, 26, 28, 24
span 1 {1 1 1}

CIF datablock 1, entity 2 of 6

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

Dimensionality: 2

Formula: C36 H12 In3 N12 O24 (C12 H4 In N4 O8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 7, 7, 8, 9, 10, 12, 24
  • 1, 2, 3, 8, 10, 14, 14, 16, 12, 24
  • 1, 2, 4, 4, 4, 9, 12, 15, 15, 18
  • 1, 2, 4, 5, 6, 6, 12, 14, 17, 15
  • 2, 4, 10, 8, 12, 14, 17, 15, 25, 22
  • 2, 7, 7, 10, 9, 11, 8, 22, 26, 28
  • 2, 7, 9, 11, 11, 15, 11, 23, 26, 28
  • 3, 3, 7, 7, 8, 9, 10, 12, 24, 27
  • 3, 3, 8, 10, 14, 14, 16, 12, 24, 24
  • 3, 4, 4, 4, 9, 12, 15, 15, 18, 11
  • 3, 4, 5, 6, 6, 12, 14, 17, 15, 25
  • 3, 5, 4, 11, 13, 15, 15, 18, 11, 27
  • 3, 6, 6, 6, 9, 8, 14, 14, 25, 26
  • 3, 8, 9, 10, 8, 14, 14, 25, 26, 27
  • 6, 8, 10, 10, 12, 8, 22, 26, 28, 24
span 1 {1 1 1}

CIF datablock 2, entity 3 of 6

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

Dimensionality: 2

Formula: C36 H12 In3 N12 O24 (C12 H4 In N4 O8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 7, 7, 8, 9, 10, 12, 24
  • 1, 2, 3, 8, 10, 14, 14, 16, 12, 24
  • 1, 2, 4, 4, 4, 9, 12, 15, 15, 18
  • 1, 2, 4, 5, 6, 6, 12, 14, 17, 15
  • 2, 4, 10, 8, 12, 14, 17, 15, 25, 22
  • 2, 7, 7, 10, 9, 11, 8, 22, 26, 28
  • 2, 7, 9, 11, 11, 15, 11, 23, 26, 28
  • 3, 3, 7, 7, 8, 9, 10, 12, 24, 27
  • 3, 3, 8, 10, 14, 14, 16, 12, 24, 24
  • 3, 4, 4, 4, 9, 12, 15, 15, 18, 11
  • 3, 4, 5, 6, 6, 12, 14, 17, 15, 25
  • 3, 5, 4, 11, 13, 15, 15, 18, 11, 27
  • 3, 6, 6, 6, 9, 8, 14, 14, 25, 26
  • 3, 8, 9, 10, 8, 14, 14, 25, 26, 27
  • 6, 8, 10, 10, 12, 8, 22, 26, 28, 24
span 1 {1 1 1}

CIF datablock 3, entity 4 of 6

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

Dimensionality: 2

Formula: C36 H12 In3 N12 O24 (C12 H4 In N4 O8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 7, 7, 8, 9, 10, 12, 24
  • 1, 2, 3, 8, 10, 14, 14, 16, 12, 24
  • 1, 2, 4, 4, 4, 9, 12, 15, 15, 18
  • 1, 2, 4, 5, 6, 6, 12, 14, 17, 15
  • 2, 4, 10, 8, 12, 14, 17, 15, 25, 22
  • 2, 7, 7, 10, 9, 11, 8, 22, 26, 28
  • 2, 7, 9, 11, 11, 15, 11, 23, 26, 28
  • 3, 3, 7, 7, 8, 9, 10, 12, 24, 27
  • 3, 3, 8, 10, 14, 14, 16, 12, 24, 24
  • 3, 4, 4, 4, 9, 12, 15, 15, 18, 11
  • 3, 4, 5, 6, 6, 12, 14, 17, 15, 25
  • 3, 5, 4, 11, 13, 15, 15, 18, 11, 27
  • 3, 6, 6, 6, 9, 8, 14, 14, 25, 26
  • 3, 8, 9, 10, 8, 14, 14, 25, 26, 27
  • 6, 8, 10, 10, 12, 8, 22, 26, 28, 24
span 1 {1 1 1}

CIF datablock 4, entity 5 of 6

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

Dimensionality: 2

Formula: C36 H12 In3 N12 O24 (C12 H4 In N4 O8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 7, 7, 8, 9, 10, 12, 24
  • 1, 2, 3, 8, 10, 14, 14, 16, 12, 24
  • 1, 2, 4, 4, 4, 9, 12, 15, 15, 18
  • 1, 2, 4, 5, 6, 6, 12, 14, 17, 15
  • 2, 4, 10, 8, 12, 14, 17, 15, 25, 22
  • 2, 7, 7, 10, 9, 11, 8, 22, 26, 28
  • 2, 7, 9, 11, 11, 15, 11, 23, 26, 28
  • 3, 3, 7, 7, 8, 9, 10, 12, 24, 27
  • 3, 3, 8, 10, 14, 14, 16, 12, 24, 24
  • 3, 4, 4, 4, 9, 12, 15, 15, 18, 11
  • 3, 4, 5, 6, 6, 12, 14, 17, 15, 25
  • 3, 5, 4, 11, 13, 15, 15, 18, 11, 27
  • 3, 6, 6, 6, 9, 8, 14, 14, 25, 26
  • 3, 8, 9, 10, 8, 14, 14, 25, 26, 27
  • 6, 8, 10, 10, 12, 8, 22, 26, 28, 24
span 1 {1 1 1}

CIF datablock 5, entity 6 of 6

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

Dimensionality: 2

Formula: C36 H12 In3 N12 O24 (C12 H4 In N4 O8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 7, 7, 8, 9, 10, 12, 24
  • 1, 2, 3, 8, 10, 14, 14, 16, 12, 24
  • 1, 2, 4, 4, 4, 9, 12, 15, 15, 18
  • 1, 2, 4, 5, 6, 6, 12, 14, 17, 15
  • 2, 4, 10, 8, 12, 14, 17, 15, 25, 22
  • 2, 7, 7, 10, 9, 11, 8, 22, 26, 28
  • 2, 7, 9, 11, 11, 15, 11, 23, 26, 28
  • 3, 3, 7, 7, 8, 9, 10, 12, 24, 27
  • 3, 3, 8, 10, 14, 14, 16, 12, 24, 24
  • 3, 4, 4, 4, 9, 12, 15, 15, 18, 11
  • 3, 4, 5, 6, 6, 12, 14, 17, 15, 25
  • 3, 5, 4, 11, 13, 15, 15, 18, 11, 27
  • 3, 6, 6, 6, 9, 8, 14, 14, 25, 26
  • 3, 8, 9, 10, 8, 14, 14, 25, 26, 27
  • 6, 8, 10, 10, 12, 8, 22, 26, 28, 24
span 1 {1 1 1}