Structure 4516162

4516160 << 4516162 >> 4516178
Original COD entry Download CIF Download DOT

Citation: Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A. (2018). Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.. ACS omega, 3, pp. 18466-18474.

Formula: C24 H18 B2 F8 N18 Ni

Chemical name: Bis-[2,4,6-tri(pyrazol-1-yl)-1,3,5-triazine]nickel(II) di-tetrafluoroborate

Cell parameters:

  • a = 18.4872(14) Å
  • b = 18.4872(14) Å
  • c = 18.4872(14) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: interleaving

List: 3D

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;1;0 0;0;1)

Dimensionality: 3

Formula: C168 H144 N96 Ni12 (C14 H12 N8 Ni)

Multiplicity: 1

Coordination sequences:

  • 1, 5, 6, 12, 14, 29, 24, 44, 39, 66
  • 2, 5, 7, 11, 20, 33, 33, 35, 46, 68
  • 3, 8, 23, 29, 45, 30, 48, 49, 85, 56
  • 3, 11, 19, 26, 21, 36, 48, 59, 44, 71
  • 3, 13, 19, 41, 33, 51, 38, 68, 58, 102
  • 5, 8, 4, 16, 24, 41, 25, 41, 48, 82
  • 5, 8, 13, 20, 32, 33, 35, 46, 68, 61
  • 5, 10, 20, 23, 41, 29, 44, 54, 77, 53
  • 5, 15, 17, 30, 24, 44, 39, 66, 47, 85
  • 6, 6, 12, 14, 29, 24, 44, 39, 66, 47
  • 10, 16, 28, 18, 34, 40, 68, 36, 68, 80
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: C168 H144 N96 Ni12 (C14 H12 N8 Ni)

Multiplicity: 1

Coordination sequences:

  • 1, 5, 6, 12, 14, 29, 24, 44, 39, 66
  • 2, 5, 7, 11, 20, 33, 33, 35, 46, 68
  • 3, 8, 23, 29, 45, 30, 48, 49, 85, 56
  • 3, 11, 19, 26, 21, 36, 48, 59, 44, 71
  • 3, 13, 19, 41, 33, 51, 38, 68, 58, 102
  • 5, 8, 4, 16, 24, 41, 25, 41, 48, 82
  • 5, 8, 13, 20, 32, 33, 35, 46, 68, 61
  • 5, 10, 20, 23, 41, 29, 44, 54, 77, 53
  • 5, 15, 17, 30, 24, 44, 39, 66, 47, 85
  • 6, 6, 12, 14, 29, 24, 44, 39, 66, 47
  • 10, 16, 28, 18, 34, 40, 68, 36, 68, 80
span 1 {1 1 1}