Structure 1558029

1558028 << 1558029 >> 1558030
Original COD entry Download CIF Download DOT

Citation: Zee, David Z.; Harris, T. David (2020). Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.. Chemical science, 11, pp. 5447-5452.

Formula: C168 H108 Cl3 Fe3 N12 O64 Zr12

Chemical name: [FeCl(TCPP)]3[ZrO4(OH)4(CH3CO2)6]2

Cell parameters:

  • a = 38.4891(9) Å
  • b = 38.4891(9) Å
  • c = 38.4891(9) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

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 1

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

Dimensionality: 3

Formula: C768 H864 Cl24 Fe24 N48 O400 Zr48 (C96 H108 Cl3 Fe3 N6 O50 Zr6)

Multiplicity: 1

span 1 {1 1 1}