Structure 7245558

7245557 << 7245558 >> 7245561
Original COD entry Download CIF Download DOT

Citation: Gvilava, Vasily; Vieten, Maximilian; Oestreich, Robert; Woschko, Dennis; Steinert, Moritz; Boldog, Ishtvan; Bulanek, Roman; Fokina, Natalie A.; Schreiner, Peter Richard; Janiak, Christoph (2022). A diamantane-4,9-dicarboxylate based UiO-66 analogue: challenging larger hydrocarbon cage platforms. CrystEngComm, , pp. -.

Formula: C75.963 H82.238 O38.341 Zr6

Chemical name: catena-[hexakis(\m~4~-4,9-diamantanedicarboxylate)-tetra(\m~3~-oxo)-tetra(\m~3~-hydroxo)-hexazirconium];Additional note: the compound is modulated by formiate. The refined 4,9-diamantanedicarboxylate:formiate ratio is 4.56:2.86,which corresponds to [Zr6O4(OH)4(HCOO)2.86(C16H18O4)4.56] compositioncompared with the idealized, non-modulated [Zr6O4(OH)4(C16H18O4)6].The residual guest molecules in the pores are modeled by O-atoms.

Cell parameters:

  • a = 23.49022(13) Å
  • b = 23.49022(13) Å
  • c = 23.49022(13) Å
  • α = 90°
  • β = 90°
  • 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: C672 H864 O160 Zr24 (C84 H108 O20 Zr3)

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