Structure 4101821

4101816 << 4101821 >> 4101822
Original COD entry Download CIF Download DOT

Citation: Thomas Devic; Patricia Horcajada; Christian Serre; Fabrice Salles; Guillaume Maurin; B\'eatrice Moulin; Daniela Heurtaux; Guillaume Clet; Alexandre Vimont; Jean-Marc Gren\`eche; Benjamin Le Ouay; Florian Moreau; Emmanuel Magnier; Yaroslav Filinchuk; Jer\^ome Marrot; Jean-Claude Lavalley; Marco Daturi; G\'erard F\'erey (2010). Functionalization in Flexible Porous Solids: Effects on the Pore Opening and the Host-Guest Interactions. Journal of the American Chemical Society, 132, pp. 1127-1136.

Formula: C8 H4 Cl Fe O5

Chemical name: ?

Cell parameters:

  • a = 18.40(2) Å
  • b = 6.935(7) Å
  • c = 11.075(11) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

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: C48 Cl16 Fe4 O20 (C12 Cl4 Fe O5)

Multiplicity: 1

Coordination sequences:

  • 2, 5, 9, 11, 12, 19, 31, 36, 53, 87
  • 2, 7, 9, 18, 23, 37, 44, 49, 52, 56
  • 2, 10, 8, 16, 30, 50, 48, 52, 50, 54
  • 3, 6, 15, 12, 20, 36, 50, 52, 54, 61
  • 4, 6, 8, 8, 17, 26, 31, 46, 72, 80
  • 5, 6, 8, 10, 17, 26, 30, 49, 73, 84
  • 5, 8, 7, 14, 17, 25, 43, 55, 54, 77
  • 6, 6, 14, 22, 38, 42, 50, 46, 50, 82
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