Structure 7015960

7015959 << 7015960 >> 7015963
Original COD entry Download CIF Download DOT

Citation: Wen, Tian; Li, Mian; Zhou, Xiao-Ping; Li, Dan (2011). Unprecedented copper(i)-catalyzed in situ double cycloaddition reaction based on 2-cyanopyrimidine.. Dalton transactions (Cambridge, England : 2003), 40, pp. 5684-5686.

Formula: C22 H12 Cu4 N16

Cell parameters:

  • a = 8.3754(15) Å
  • b = 10.891(2) Å
  • c = 14.418(3) Å
  • α = 96.696(3)°
  • β = 101.866(3)°
  • γ = 96.275(3)°

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

Dimensionality: 2

Formula: C22 H12 Cu4 N16 (C11 H6 Cu2 N8)

Multiplicity: 1

Coordination sequences:

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

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: C22 H12 Cu4 N16 (C11 H6 Cu2 N8)

Multiplicity: 1

Coordination sequences:

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