Structure 4512509

4512508 << 4512509 >> 4512527
Original COD entry Download CIF Download DOT

Citation: Jana, Subrata; Harms, Klaus; Bauz\'a, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik (2015). Synthesis, Structures, and DFT Study of CuBr Based Coordination Polymers via in Situ Reduction of Copper(II). Crystal Growth & Design, 15, pp. 257-.

Formula: C36 H39.75 Br2 Cu2 N4 O5.87

Chemical name: ?

Cell parameters:

  • a = 10.0229(6) Å
  • b = 24.6728(14) Å
  • c = 15.0813(8) Å
  • α = 90°
  • β = 98.3976(19)°
  • γ = 90°

List type: interleaving

List: 1D

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 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C36 H36 Br2 Cu2 N4 O4 (C18 H18 Br Cu N2 O2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C36 H36 Br2 Cu2 N4 O4 (C18 H18 Br Cu N2 O2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C36 H36 Br2 Cu2 N4 O4 (C18 H18 Br Cu N2 O2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C36 H36 Br2 Cu2 N4 O4 (C18 H18 Br Cu N2 O2)

Multiplicity: 1

span 1 {1 1 1}