Structure 4002879

4002878 << 4002879 >> 4002882
Original COD entry Download CIF Download DOT

Citation: Gelfand, Benjamin S.; Huynh, Racheal P. S.; Collins, Sean P.; Woo, Tom K.; Shimizu, George K. H. (2017). Computational and Experimental Assessment of CO2 Uptake in Phosphonate Monoester Metal--Organic Frameworks. Chemistry of Materials, 29, pp. 10469-.

Formula: C60 H60 Cu3 O18 P6

Cell parameters:

  • a = 5.039(1) Å
  • b = 27.642(6) Å
  • c = 23.662(5) Å
  • α = 90°
  • β = 94.95(3)°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: C124 H140 Cu6 O36 P12 (C62 H70 Cu3 O18 P6)

Multiplicity: 1

span 1 {1 1 1}