Structure 4130318

4130317 << 4130318 >> 4130349
Original COD entry Download CIF Download DOT

Citation: Pili, Simona; Argent, Stephen P.; Morris, Christopher G.; Rought, Peter; Garc\'ia-Sakai, Victoria; Silverwood, Ian P.; Easun, Timothy L.; Li, Ming; Warren, Mark R.; Murray, Claire A.; Tang, Chiu C.; Yang, Sihai; Schr\"oder, Martin (2016). Proton Conduction in a Phosphonate-Based Metal-Organic Framework Mediated by Intrinsic "Free Diffusion inside a Sphere".. Journal of the American Chemical Society, 138, pp. 6352-6355.

Formula: C54 H72 N0 Ni3 O30 P6 S3

Cell parameters:

  • a = 16.323(6) Å
  • b = 16.323(6) Å
  • c = 14.933(8) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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 2

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

Dimensionality: 3

Formula: C78 H72 Ni6 O33 P6 S6 (C26 H24 Ni2 O11 P2 S2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: C78 H72 Ni6 O33 P6 S6 (C26 H24 Ni2 O11 P2 S2)

Multiplicity: 1

span 1 {1 1 1}