Structure 8102685

8102678 << 8102685 >> 8102694
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Citation: Xiao-Dong Li; Zhi-Jie Shi (2010). Crystal structure of (hydrogen 5-tert-butylisophthalato)-hemi(5-tert-butylisophthalato)-[2,5-bis(4-pyridyl)-1,3,4-thiadiazole]copper(II), Cu(C12H13O4)(C12H12O4)0.5(C12H8N4S). Zeitschrift f\"ur Kristallographie - New Crystal Structures, 225, pp. 393-.

Formula: C30 H27 Cu N4 O6 S

Chemical name: (hydrogen 5-tert-butylisophthalato)-(5-tert-butylisophthalato)~0.5~-(2,5-bis(4-pyridyl)-1,3,4-thiadiazole)copper(II), [Cu(C~12~H~13~O~4~) (C~12~H~12~O~4~)~0.5~(C~12~H~8~N~4~S)]

Cell parameters:

  • a = 14.693(3) Å
  • b = 18.784(4) Å
  • c = 21.396(5) Å
  • α = 90.00°
  • β = 90.068(3)°
  • γ = 90.00°

List type: interleaving

List: 1D

Combined 3D structure and graph

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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C60 H54 Cu2 N8 O12 S2 (C30 H27 Cu N4 O6 S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C60 H54 Cu2 N8 O12 S2 (C30 H27 Cu N4 O6 S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C60 H54 Cu2 N8 O12 S2 (C30 H27 Cu N4 O6 S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C60 H54 Cu2 N8 O12 S2 (C30 H27 Cu N4 O6 S)

Multiplicity: 1

span 1 {1 1 1}