Structure 4113305

4113304 << 4113305 >> 4113306
Original COD entry Download CIF Download DOT

Citation: Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura (2004). Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges. Journal of the American Chemical Society, 126, pp. 16587-16600.

Formula: C60 H42 N12 Ni3 O12 S6

Chemical name: catena-bis(N-isonicotinic acid)nickel(II)-bis(/m-thiocyanato-N,N',S,S')(triphenylene)1/3

Cell parameters:

  • a = 17.8740(8) Å
  • b = 11.1970(5) Å
  • c = 16.9305(7) Å
  • α = 103.836(3)°
  • β = 78.041(4)°
  • γ = 86.770(2)°

List type: interleaving

List: 1D

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 3

Basis: (0;1;0)

Dimensionality: 1

Formula: C28 H20 N8 Ni2 O8 S4 (C14 H10 N4 Ni O4 S2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: C28 H20 N8 Ni2 O8 S4 (C14 H10 N4 Ni O4 S2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: C28 H20 N8 Ni2 O8 S4 (C14 H10 N4 Ni O4 S2)

Multiplicity: 1

span 1 {1 1 1}