Structure 8106041

8106040 << 8106041 >> 8106044
Original COD entry Download CIF Download DOT

Citation: Hui, Guo; Xin-Hong, Chang; Hao-Yue, Qin (2018). Crystal structure of catena-poly[diaqua-(\m2-5-methylisophthalato-\k2 O:O′)(\m2-1,4-bis((1H-1,2,4-triazol-1-yl)methyl)benzene-\k2 N:N′)], NiC21H22O6N6. Zeitschrift f\"ur Kristallographie - New Crystal Structures, 233, pp. 55-56.

Formula: C21 H22 N6 Ni O6

Cell parameters:

  • a = 18.214(3) Å
  • b = 20.934(3) Å
  • c = 5.5296(8) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

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 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C42 H50 N12 Ni2 O12 (C21 H25 N6 Ni O6)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C42 H50 N12 Ni2 O12 (C21 H25 N6 Ni O6)

Multiplicity: 1

span 1 {1 1 1}