Structure 7007420

7007349 << 7007420 >> 7007421
Original COD entry Download CIF Download DOT

Citation: Lysenko, Andrey B.; Govor, Evgen V.; Krautscheid, Harald; Domasevitch, Konstantin V. (2006). Metal-organic frameworks incorporating Cu3(mu3-OH) clusters.. Dalton transactions (Cambridge, England : 2003), , pp. 3772-3776.

Formula: C12 H24 Cl7 Cu6 N18 O8.5

Chemical name: Hexachloro Dihydroxo Tetraaqua mu-3-Hydroxotricopper(II)mu-3-Oxotricopper(II) Complex with 4,4'-(1,2,4-bitriazole),Chloride Semihydrate

Cell parameters:

  • a = 30.0968(12) Å
  • b = 30.0968(12) Å
  • c = 30.0968(12) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

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 8

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

Dimensionality: 3

Formula: C48 H104 Cl24 Cu24 N72 O32 (C6 H13 Cl3 Cu3 N9 O4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 8

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

Dimensionality: 3

Formula: C48 H104 Cl24 Cu24 N72 O32 (C6 H13 Cl3 Cu3 N9 O4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 8

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

Dimensionality: 3

Formula: C48 H104 Cl24 Cu24 N72 O32 (C6 H13 Cl3 Cu3 N9 O4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 8

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

Dimensionality: 3

Formula: C48 H104 Cl24 Cu24 N72 O32 (C6 H13 Cl3 Cu3 N9 O4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 4, entity 5 of 8

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

Dimensionality: 3

Formula: C48 H104 Cl24 Cu24 N72 O32 (C6 H13 Cl3 Cu3 N9 O4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 5, entity 6 of 8

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

Dimensionality: 3

Formula: C48 H104 Cl24 Cu24 N72 O32 (C6 H13 Cl3 Cu3 N9 O4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 6, entity 7 of 8

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

Dimensionality: 3

Formula: C48 H104 Cl24 Cu24 N72 O32 (C6 H13 Cl3 Cu3 N9 O4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 7, entity 8 of 8

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

Dimensionality: 3

Formula: C48 H104 Cl24 Cu24 N72 O32 (C6 H13 Cl3 Cu3 N9 O4)

Multiplicity: 1

span 1 {1 1 1}