Structure 4119583

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Original COD entry Download CIF Download DOT

Citation: Richard F. D'Vries; Victor A. de la Pe\~na-O'Shea; Natalia Snejko; Marta Iglesias; Enrique Guti\'errez-Puebla; M. Angeles Monge (2013). H3O2 Bridging Ligand in a Metal-Organic Framework. Insight into the Aqua-Hydroxo\\leftarrow\\rightarrowHydroxyl Equilibrium: A Combined Experimental and Theoretical Study. Journal of the American Chemical Society, 135, pp. 5782-5792.

Formula: C14 H16 O23.13 S4 Sc3

Chemical name: ?

Cell parameters:

  • a = 7.5148(12) Å
  • b = 9.5270(15) Å
  • c = 10.2296(16) Å
  • α = 69.198(2)°
  • β = 85.365(3)°
  • γ = 82.458(3)°

List type: noninterleaving

List: 2D

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

Dimensionality: 2

Formula: C14 H16 O26 S4 Sc3 (C14 H16 O26 S4 Sc3)

Multiplicity: 1

span 1 {1 1 1}