Structure 7116556

7116555 << 7116556 >> 7116559
Original COD entry Download CIF Download DOT

Citation: Whitehead, George F. S.; Teat, Simon J.; Gagnon, Kevin J.; Timco, Grigore A.; Winpenny, Richard E. P. (2015). An extended framework of cages formed of pre-synthesised and functionalised heterometallic cages. Chemical Communications (Cambridge, United Kingdom), 51, pp. 3533-3536.

Formula: C324 H558 Co2 Cr21 F24 Fe4 N9 Ni3 O122

Chemical name: ({[nPr2NH2][Cr7NiF8(O2CCtBu)14(O2CC5H4N)2]}3{[Fe2CoO(O2CtBu)6]}2)n

Cell parameters:

  • a = 63.4959(10) Å
  • b = 38.2021(7) Å
  • c = 71.4099(11) Å
  • α = 90°
  • β = 114.799(2)°
  • γ = 90°

List type: interleaving

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 2

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

Dimensionality: 3

Formula: C1224 H2040 Co24 Cr84 F96 Fe24 N24 Ni12 O488 (C306 H510 Co6 Cr21 F24 Fe6 N6 Ni3 O122)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: C1224 H2040 Co24 Cr84 F96 Fe24 N24 Ni12 O488 (C306 H510 Co6 Cr21 F24 Fe6 N6 Ni3 O122)

Multiplicity: 1

span 1 {1 1 1}