Structure 4000828

4000819 << 4000828 >> 4000829
Original COD entry Download CIF Download DOT

Citation: Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Gren\`eche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; F\'erey, G\'erard (2011). Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives. Chemistry of Materials, 23, pp. 4641-.

Formula: C57 H45 Cs Fe N7 Ni O11

Chemical name: ?

Cell parameters:

  • a = 7.3599(4) Å
  • b = 24.7921(13) Å
  • c = 29.7428(16) Å
  • α = 90.00°
  • β = 94.438(2)°
  • γ = 90.00°

List type: interleaving

List: 1-3D

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 5

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

Dimensionality: 3

Formula: C192 H96 Cs8 Fe4 N16 Ni4 O32 (C48 H24 Cs2 Fe N4 Ni O8)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 9, entity 10 of 5

Basis: (1;0;0)

Dimensionality: 1

Formula: C5 N2 O2 (C5 N2 O2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 3, 2, 2, 3, 2, 4, 2
  • 2, 2, 3, 3, 3, 3, 2, 2, 2, 3
  • 2, 3, 2, 3, 3, 2, 3, 2, 3, 2
  • 2, 4, 2, 2, 2, 2, 4, 2, 4, 2
  • 3, 2, 3, 2, 2, 3, 2, 4, 2, 3
span 1 {1 1 1}

CIF datablock 10, entity 11 of 5

Basis: (1;0;0)

Dimensionality: 1

Formula: C5 N2 O2 (C5 N2 O2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 3, 2, 2, 3, 2, 4, 2
  • 2, 2, 3, 3, 3, 3, 2, 2, 2, 3
  • 2, 3, 2, 3, 3, 2, 3, 2, 3, 2
  • 2, 4, 2, 2, 2, 2, 4, 2, 4, 2
  • 3, 2, 3, 2, 2, 3, 2, 4, 2, 3
span 1 {1 1 1}

CIF datablock 11, entity 12 of 5

Basis: (1;0;0)

Dimensionality: 1

Formula: C5 N2 O2 (C5 N2 O2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 3, 2, 2, 3, 2, 4, 2
  • 2, 2, 3, 3, 3, 3, 2, 2, 2, 3
  • 2, 3, 2, 3, 3, 2, 3, 2, 3, 2
  • 2, 4, 2, 2, 2, 2, 4, 2, 4, 2
  • 3, 2, 3, 2, 2, 3, 2, 4, 2, 3
span 1 {1 1 1}

CIF datablock 12, entity 13 of 5

Basis: (1;0;0)

Dimensionality: 1

Formula: C5 N2 O2 (C5 N2 O2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 3, 2, 2, 3, 2, 4, 2
  • 2, 2, 3, 3, 3, 3, 2, 2, 2, 3
  • 2, 3, 2, 3, 3, 2, 3, 2, 3, 2
  • 2, 4, 2, 2, 2, 2, 4, 2, 4, 2
  • 3, 2, 3, 2, 2, 3, 2, 4, 2, 3
span 1 {1 1 1}