Structure 7127849

7127782 << 7127849 >> 7127854
Original COD entry Download CIF Download DOT

Citation: Subasinghe, S A Amali S; Romero, Jonathan; Ward, Cassandra L.; Bailey, Matthew D.; Zehner, Donna R.; Mehta, Prakrut J.; Carniato, Fabio; Botta, Mauro; Yustein, Jason T.; Pautler, Robia G.; Allen, Matthew J. (2021). Magnetic resonance thermometry using a GdIII-based contrast agent.. Chemical communications (Cambridge, England), 57, pp. 1770-1773.

Formula: C48 H66 Cl3 F12 Gd N8 O11

Cell parameters:

  • a = 10.8408(6) Å
  • b = 26.2799(13) Å
  • c = 11.5932(5) Å
  • α = 90°
  • β = 117.247(3)°
  • 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 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C96 H104 F24 Gd N12 O9 (C96 H104 F24 Gd N12 O9)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C96 H104 F24 Gd N12 O9 (C96 H104 F24 Gd N12 O9)

Multiplicity: 1

span 1 {1 1 1}