Structure 4345990

4345989 << 4345990 >> 4345991
Original COD entry Download CIF Download DOT

Citation: Nateghi, Bahareh; Domasevitch, Kostiantyn V.; Bul\'anek, Roman; Janiak, Christoph; Boldog, Ishtvan (2019). Ligand Excess "Inverse-Defected" Zr6 Tetrahedral Tetracarboxylate Framework and Its Thermal Transformation.. Inorganic chemistry, 58, pp. 12786-12797.

Formula: C114 H96 O36 Zr6

Chemical name: poly{[\m~8~-((adamantane-1,3,5,7-tetrayl)tetra(phen-4-yl))tetra(carboxylate-\\k<i>O:</i>\k<i>O'</i>)][bis(\m~6~-((adamantane-1,3,5,7-\tetrayl)tetra(phen-4-yl))(tri(carboxylate-\\k<i>O:</i>\k<i>O')</i>)(carboxylic acid))]tetra(\m~3~-oxo)tetra(\m~3~-hydroxo)di(hydroxo)tetraaquahexazirconium(IV)},solvate with N,N-dimethylformamide, formic acid and water

Cell parameters:

  • a = 24.261(5) Å
  • b = 30.967(6) Å
  • c = 25.454(5) Å
  • α = 90°
  • β = 101.91(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: C512 H416 O192 Zr24 (C64 H52 O24 Zr3)

Multiplicity: 1

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