Structure 4100605

4100603 << 4100605 >> 4100609
Original COD entry Download CIF Download DOT

Citation: Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming (2005). Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties. Journal of the American Chemical Society, , pp. -.

Formula: C48 H36 Cu5 N21 O5

Cell parameters:

  • a = 17.4879(11) Å
  • b = 12.5107(8) Å
  • c = 21.5927(13) Å
  • α = 90.00°
  • β = 93.6040(10)°
  • γ = 90.00°

List type: interleaving

List: 2D

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 0;0;1)

Dimensionality: 2

Formula: C96 H64 Cu10 N40 (C48 H32 Cu5 N20)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 5, 8, 13, 17, 28, 33
  • 1, 2, 4, 3, 5, 8, 13, 18, 31, 33
  • 1, 2, 4, 3, 6, 8, 13, 17, 28, 35
  • 1, 2, 4, 3, 6, 9, 14, 18, 29, 32
  • 1, 2, 4, 5, 3, 5, 10, 19, 23, 28
  • 1, 2, 4, 5, 4, 6, 12, 22, 19, 25
  • 1, 2, 4, 5, 5, 8, 16, 29, 30, 39
  • 1, 2, 4, 5, 5, 8, 16, 30, 32, 42
  • 1, 2, 4, 5, 5, 9, 10, 14, 20, 28
  • 1, 2, 4, 5, 5, 9, 10, 15, 21, 29
  • 1, 2, 4, 6, 7, 13, 15, 23, 31, 31
  • 1, 2, 4, 6, 7, 13, 16, 23, 31, 33
  • 1, 2, 4, 7, 9, 13, 17, 28, 33, 41
  • 1, 2, 4, 7, 9, 13, 18, 31, 33, 40
  • 1, 2, 4, 8, 9, 13, 17, 28, 35, 31
  • 1, 2, 4, 8, 10, 14, 18, 29, 32, 31
  • 2, 4, 5, 10, 10, 16, 17, 22, 23, 36
  • 2, 4, 5, 10, 15, 13, 14, 17, 22, 33
  • 2, 4, 8, 12, 28, 32, 50, 48, 58, 42
  • 3, 4, 3, 5, 8, 13, 17, 28, 33, 41
  • 3, 4, 3, 5, 8, 13, 18, 31, 33, 40
  • 3, 4, 3, 6, 8, 13, 17, 28, 35, 31
  • 3, 4, 3, 6, 9, 14, 18, 29, 32, 31
  • 3, 4, 5, 3, 5, 10, 19, 23, 28, 32
  • 3, 4, 5, 4, 6, 12, 22, 19, 25, 32
  • 3, 4, 5, 5, 8, 16, 29, 30, 39, 42
  • 3, 4, 5, 5, 8, 16, 30, 32, 42, 41
  • 3, 4, 5, 5, 9, 10, 14, 20, 28, 36
  • 3, 4, 5, 5, 9, 10, 15, 21, 29, 34
  • 3, 4, 6, 7, 12, 17, 20, 20, 29, 35
  • 3, 4, 6, 7, 13, 15, 23, 31, 31, 35
  • 3, 4, 6, 7, 13, 16, 23, 31, 33, 33
  • 3, 4, 7, 9, 13, 17, 28, 33, 41, 46
  • 3, 4, 7, 9, 13, 18, 31, 33, 40, 44
  • 3, 4, 8, 9, 13, 17, 28, 35, 31, 34
  • 3, 4, 8, 10, 14, 18, 29, 32, 31, 34
  • 3, 5, 7, 9, 16, 14, 18, 18, 28, 40
  • 3, 5, 7, 14, 13, 12, 14, 18, 28, 45
  • 3, 5, 8, 18, 22, 39, 40, 54, 45, 51
  • 3, 6, 5, 6, 10, 19, 23, 28, 32, 33
  • 3, 6, 6, 7, 12, 22, 19, 25, 32, 35
  • 3, 6, 7, 9, 16, 29, 30, 39, 42, 51
  • 3, 6, 7, 9, 16, 30, 32, 42, 41, 47
  • 3, 6, 7, 10, 10, 14, 20, 28, 36, 54
  • 3, 6, 7, 10, 10, 15, 21, 29, 34, 52
  • 3, 6, 10, 15, 26, 30, 40, 38, 48, 49
  • 3, 6, 10, 15, 26, 31, 42, 40, 48, 48
  • 3, 6, 11, 9, 12, 14, 14, 22, 40, 47
  • 3, 7, 9, 14, 15, 23, 31, 31, 35, 52
  • 3, 7, 9, 14, 16, 23, 31, 33, 33, 50
  • 3, 7, 12, 22, 27, 28, 29, 35, 39, 63
  • 3, 7, 12, 22, 27, 29, 30, 34, 40, 65
  • 4, 8, 15, 16, 24, 30, 27, 31, 51, 55
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: C96 H64 Cu10 N40 (C48 H32 Cu5 N20)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 5, 7, 12, 16, 25, 27
  • 1, 2, 4, 3, 5, 7, 12, 17, 28, 27
  • 1, 2, 4, 3, 6, 9, 14, 17, 30, 37
  • 1, 2, 4, 3, 6, 10, 15, 18, 31, 34
  • 1, 2, 4, 5, 4, 6, 12, 23, 26, 36
  • 1, 2, 4, 5, 4, 7, 14, 25, 24, 25
  • 1, 2, 4, 5, 4, 7, 14, 26, 26, 28
  • 1, 2, 4, 5, 5, 7, 14, 26, 22, 33
  • 1, 2, 4, 5, 5, 9, 10, 14, 19, 27
  • 1, 2, 4, 5, 5, 9, 10, 15, 20, 28
  • 1, 2, 4, 6, 7, 13, 14, 22, 30, 28
  • 1, 2, 4, 6, 7, 13, 15, 22, 30, 30
  • 1, 2, 4, 7, 8, 12, 16, 25, 27, 29
  • 1, 2, 4, 7, 8, 12, 17, 28, 27, 28
  • 1, 2, 4, 8, 10, 14, 17, 30, 37, 34
  • 1, 2, 4, 8, 11, 15, 18, 31, 34, 34
  • 2, 4, 6, 11, 17, 17, 19, 25, 29, 43
  • 2, 4, 6, 14, 16, 25, 23, 28, 23, 22
  • 2, 4, 8, 10, 20, 20, 32, 34, 44, 38
  • 3, 4, 3, 5, 7, 12, 16, 25, 27, 29
  • 3, 4, 3, 5, 7, 12, 17, 28, 27, 28
  • 3, 4, 3, 6, 9, 14, 17, 30, 37, 34
  • 3, 4, 3, 6, 10, 15, 18, 31, 34, 34
  • 3, 4, 5, 4, 6, 12, 23, 26, 36, 39
  • 3, 4, 5, 4, 7, 14, 25, 24, 25, 26
  • 3, 4, 5, 4, 7, 14, 26, 26, 28, 26
  • 3, 4, 5, 5, 7, 14, 26, 22, 33, 38
  • 3, 4, 5, 5, 9, 10, 14, 19, 27, 32
  • 3, 4, 5, 5, 9, 10, 15, 20, 28, 30
  • 3, 4, 6, 7, 13, 14, 22, 30, 28, 30
  • 3, 4, 6, 7, 13, 15, 22, 30, 30, 28
  • 3, 4, 7, 8, 12, 16, 25, 27, 29, 32
  • 3, 4, 7, 8, 12, 17, 28, 27, 28, 31
  • 3, 4, 8, 10, 14, 17, 30, 37, 34, 34
  • 3, 4, 8, 11, 15, 18, 31, 34, 34, 33
  • 3, 5, 7, 9, 16, 22, 30, 28, 42, 47
  • 3, 5, 7, 14, 15, 26, 27, 38, 36, 54
  • 3, 5, 8, 15, 15, 16, 17, 26, 33, 51
  • 3, 5, 9, 13, 22, 23, 25, 22, 23, 24
  • 3, 5, 9, 13, 22, 24, 27, 25, 23, 24
  • 3, 6, 6, 7, 12, 23, 26, 36, 39, 41
  • 3, 6, 6, 8, 14, 25, 24, 25, 26, 28
  • 3, 6, 6, 8, 14, 26, 26, 28, 26, 24
  • 3, 6, 7, 8, 14, 26, 22, 33, 38, 43
  • 3, 6, 7, 10, 10, 14, 19, 27, 32, 45
  • 3, 6, 7, 10, 10, 15, 20, 28, 30, 43
  • 3, 6, 8, 11, 20, 19, 28, 25, 41, 51
  • 3, 6, 11, 10, 13, 14, 16, 23, 42, 43
  • 3, 7, 9, 14, 14, 22, 30, 28, 30, 40
  • 3, 7, 9, 14, 15, 22, 30, 30, 28, 38
  • 3, 7, 11, 21, 24, 23, 23, 21, 23, 36
  • 3, 7, 11, 21, 24, 24, 24, 20, 24, 38
  • 4, 8, 15, 14, 22, 28, 21, 23, 33, 35
span 1 {1 1 1}