Structure 7211856

7211855 << 7211856 >> 7211860
Original COD entry Download CIF Download DOT

Citation: Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming (2010). Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands. CrystEngComm, 12, pp. 1103-.

Formula: C16 H12 Cu11 I7 N8 S4

Cell parameters:

  • a = 17.3499(12) Å
  • b = 15.4640(10) Å
  • c = 13.2336(9) Å
  • α = 90.00°
  • β = 90.00°
  • 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: C32 H24 Cu30 I14 N16 S8 (C16 H12 Cu15 I7 N8 S4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 11, 17, 28, 39, 63, 73
  • 1, 2, 4, 4, 9, 19, 29, 43, 65, 80
  • 1, 2, 4, 6, 10, 20, 31, 50, 52, 73
  • 1, 2, 4, 7, 14, 18, 27, 45, 67, 79
  • 1, 2, 4, 10, 13, 23, 33, 58, 72, 89
  • 1, 2, 5, 7, 13, 26, 38, 60, 74, 102
  • 2, 8, 20, 29, 43, 60, 75, 81, 114, 123
  • 3, 4, 3, 11, 17, 28, 39, 63, 73, 90
  • 3, 4, 4, 9, 19, 29, 43, 65, 80, 99
  • 3, 4, 6, 10, 20, 31, 50, 52, 73, 101
  • 3, 4, 7, 14, 18, 27, 45, 67, 79, 97
  • 3, 4, 10, 13, 23, 33, 58, 72, 89, 110
  • 3, 5, 7, 13, 26, 38, 60, 74, 102, 96
  • 3, 7, 12, 21, 31, 50, 52, 73, 101, 110
  • 3, 8, 16, 19, 27, 45, 67, 79, 97, 112
  • 3, 8, 17, 20, 35, 48, 78, 86, 107, 107
  • 3, 8, 18, 25, 42, 52, 70, 94, 105, 126
  • 3, 11, 15, 24, 33, 58, 72, 89, 110, 111
  • 4, 8, 15, 27, 38, 60, 74, 102, 96, 118
  • 4, 9, 17, 24, 40, 49, 60, 83, 106, 124
  • 4, 10, 20, 33, 39, 56, 75, 81, 114, 123
  • 4, 11, 19, 39, 53, 78, 75, 105, 128, 147
  • 4, 12, 24, 35, 48, 69, 87, 102, 109, 134
  • 4, 13, 18, 40, 48, 73, 83, 93, 128, 131
  • 4, 15, 25, 37, 51, 70, 90, 97, 124, 134
  • 4, 16, 18, 31, 45, 70, 80, 97, 112, 124
  • 5, 14, 19, 27, 51, 64, 83, 105, 118, 113
  • 5, 14, 22, 37, 62, 76, 80, 109, 124, 149
  • 5, 14, 23, 42, 55, 64, 91, 105, 121, 144
  • 5, 15, 21, 26, 41, 65, 71, 93, 104, 130
  • 6, 13, 28, 42, 60, 76, 78, 111, 130, 136
  • 6, 14, 24, 42, 55, 62, 83, 106, 124, 132
  • 7, 11, 19, 28, 59, 67, 87, 99, 116, 139
  • 7, 13, 25, 32, 52, 73, 75, 97, 121, 126
  • 8, 14, 22, 33, 56, 70, 90, 110, 104, 141
  • 10, 18, 19, 41, 62, 71, 97, 98, 127, 137
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: C32 H24 Cu30 I14 N16 S8 (C16 H12 Cu15 I7 N8 S4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 11, 17, 28, 39, 63, 73
  • 1, 2, 4, 4, 9, 19, 29, 43, 65, 80
  • 1, 2, 4, 6, 10, 20, 31, 50, 52, 73
  • 1, 2, 4, 7, 14, 18, 27, 45, 67, 79
  • 1, 2, 4, 10, 13, 23, 33, 58, 72, 89
  • 1, 2, 5, 7, 13, 26, 38, 60, 74, 102
  • 2, 8, 20, 29, 43, 60, 75, 81, 114, 123
  • 3, 4, 3, 11, 17, 28, 39, 63, 73, 90
  • 3, 4, 4, 9, 19, 29, 43, 65, 80, 99
  • 3, 4, 6, 10, 20, 31, 50, 52, 73, 101
  • 3, 4, 7, 14, 18, 27, 45, 67, 79, 97
  • 3, 4, 10, 13, 23, 33, 58, 72, 89, 110
  • 3, 5, 7, 13, 26, 38, 60, 74, 102, 96
  • 3, 7, 12, 21, 31, 50, 52, 73, 101, 110
  • 3, 8, 16, 19, 27, 45, 67, 79, 97, 112
  • 3, 8, 17, 20, 35, 48, 78, 86, 107, 107
  • 3, 8, 18, 25, 42, 52, 70, 94, 105, 126
  • 3, 11, 15, 24, 33, 58, 72, 89, 110, 111
  • 4, 8, 15, 27, 38, 60, 74, 102, 96, 118
  • 4, 9, 17, 24, 40, 49, 60, 83, 106, 124
  • 4, 10, 20, 33, 39, 56, 75, 81, 114, 123
  • 4, 11, 19, 39, 53, 78, 75, 105, 128, 147
  • 4, 12, 24, 35, 48, 69, 87, 102, 109, 134
  • 4, 13, 18, 40, 48, 73, 83, 93, 128, 131
  • 4, 15, 25, 37, 51, 70, 90, 97, 124, 134
  • 4, 16, 18, 31, 45, 70, 80, 97, 112, 124
  • 5, 14, 19, 27, 51, 64, 83, 105, 118, 113
  • 5, 14, 22, 37, 62, 76, 80, 109, 124, 149
  • 5, 14, 23, 42, 55, 64, 91, 105, 121, 144
  • 5, 15, 21, 26, 41, 65, 71, 93, 104, 130
  • 6, 13, 28, 42, 60, 76, 78, 111, 130, 136
  • 6, 14, 24, 42, 55, 62, 83, 106, 124, 132
  • 7, 11, 19, 28, 59, 67, 87, 99, 116, 139
  • 7, 13, 25, 32, 52, 73, 75, 97, 121, 126
  • 8, 14, 22, 33, 56, 70, 90, 110, 104, 141
  • 10, 18, 19, 41, 62, 71, 97, 98, 127, 137
span 1 {1 1 1}