Structure 4109472

4109449 << 4109472 >> 4109473
Original COD entry Download CIF Download DOT

Citation: Christina A. Bauer; Tatiana V. Timofeeva; Thomas B. Settersten; Brian D. Patterson; Vincent H. Liu; Blake A. Simmons; Mark D. Allendorf (2007). Influence of Connectivity and Porosity on Ligand-Based Luminescence in Zinc Metal-Organic Frameworks. Journal of the American Chemical Society, 129, pp. 7136-7144.

Formula: C54 H44 N2 O14 Zn3

Chemical name: ?

Cell parameters:

  • a = 16.1661(4) Å
  • b = 16.1661(4) Å
  • c = 16.4796(9) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 120.00°

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 3

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

Dimensionality: 3

Formula: C66 H72 N6 O18 Zn3 (C22 H24 N2 O6 Zn)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

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

Dimensionality: 3

Formula: C66 H72 N6 O18 Zn3 (C22 H24 N2 O6 Zn)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

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

Dimensionality: 3

Formula: C66 H72 N6 O18 Zn3 (C22 H24 N2 O6 Zn)

Multiplicity: 1

span 1 {1 1 1}