Structure 7230729

7230728 << 7230729 >> 7230730
Original COD entry Download CIF Download DOT

Citation: Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo (2018). Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand--M2+ triflate system. CrystEngComm, 20, pp. 3784-.

Formula: C26 H28 Cu F6 N4 O9 S2

Cell parameters:

  • a = 28.576(2) Å
  • b = 28.576(2) Å
  • c = 17.9860(10) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1-3D

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 6

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

Dimensionality: 3

Formula: C192 H128 Cu8 F96 N32 O64 S32 (C24 H16 Cu F12 N4 O8 S4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 6

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

Dimensionality: 3

Formula: C192 H128 Cu8 F96 N32 O64 S32 (C24 H16 Cu F12 N4 O8 S4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: C32 O4 (C8 O)

Multiplicity: 1

Coordination sequences:

  • 2, 4, 4, 5, 4, 4, 3, 3, 4, 4
  • 3, 4, 3, 4, 6, 4, 2, 2, 4, 6
  • 3, 5, 3, 4, 4, 4, 3, 3, 4, 4
  • 3, 5, 5, 3, 2, 3, 5, 5, 3, 2
  • 4, 4, 2, 4, 6, 4, 2, 2, 4, 6
span 1 {1 1 1}

CIF datablock 3, entity 4 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: C32 O4 (C8 O)

Multiplicity: 1

Coordination sequences:

  • 2, 4, 4, 5, 4, 4, 3, 3, 4, 4
  • 3, 4, 3, 4, 6, 4, 2, 2, 4, 6
  • 3, 5, 3, 4, 4, 4, 3, 3, 4, 4
  • 3, 5, 5, 3, 2, 3, 5, 5, 3, 2
  • 4, 4, 2, 4, 6, 4, 2, 2, 4, 6
span 1 {1 1 1}

CIF datablock 4, entity 5 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: C32 O4 (C8 O)

Multiplicity: 1

Coordination sequences:

  • 2, 4, 4, 5, 4, 4, 3, 3, 4, 4
  • 3, 4, 3, 4, 6, 4, 2, 2, 4, 6
  • 3, 5, 3, 4, 4, 4, 3, 3, 4, 4
  • 3, 5, 5, 3, 2, 3, 5, 5, 3, 2
  • 4, 4, 2, 4, 6, 4, 2, 2, 4, 6
span 1 {1 1 1}

CIF datablock 5, entity 6 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: C32 O4 (C8 O)

Multiplicity: 1

Coordination sequences:

  • 2, 4, 4, 5, 4, 4, 3, 3, 4, 4
  • 3, 4, 3, 4, 6, 4, 2, 2, 4, 6
  • 3, 5, 3, 4, 4, 4, 3, 3, 4, 4
  • 3, 5, 5, 3, 2, 3, 5, 5, 3, 2
  • 4, 4, 2, 4, 6, 4, 2, 2, 4, 6
span 1 {1 1 1}