Structure 4002863

4002862 << 4002863 >> 4002864
Original COD entry Download CIF Download DOT

Citation: Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun (2017). Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7-- Cluster and Its Color-Tunable Luminescence. Chemistry of Materials, 29, pp. 8093-.

Formula: C30 H30 Cu6 I7 N12 O2 P2

Cell parameters:

  • a = 14.3430(2) Å
  • b = 14.3430(2) Å
  • c = 48.4451(9) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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 6

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

Dimensionality: 2

Formula: C30 H30 Cu6 I7 N12 O2 P2 (C30 H30 Cu6 I7 N12 O2 P2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 8, 9, 14, 18, 26, 21
  • 1, 2, 4, 5, 4, 9, 10, 18, 20, 30
  • 1, 2, 4, 8, 7, 12, 17, 22, 19, 23
  • 1, 2, 4, 10, 10, 14, 18, 26, 21, 27
  • 1, 2, 5, 8, 7, 14, 12, 22, 26, 38
  • 1, 3, 6, 6, 12, 9, 18, 18, 30, 42
  • 2, 6, 8, 16, 16, 21, 18, 20, 21, 32
  • 3, 4, 3, 8, 9, 14, 18, 26, 21, 27
  • 3, 4, 5, 4, 9, 10, 18, 20, 30, 27
  • 3, 4, 8, 7, 12, 17, 22, 19, 23, 23
  • 3, 4, 10, 10, 14, 18, 26, 21, 27, 29
  • 3, 5, 8, 7, 14, 12, 22, 26, 38, 43
  • 3, 6, 6, 10, 10, 18, 20, 30, 27, 35
  • 3, 9, 9, 13, 17, 22, 19, 23, 23, 32
  • 4, 6, 6, 12, 9, 18, 18, 30, 42, 54
  • 6, 8, 14, 17, 21, 18, 19, 21, 28, 34
  • 6, 12, 12, 24, 18, 18, 18, 24, 24, 48
span 1 {1 1 1}

CIF datablock 1, entity 2 of 6

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

Dimensionality: 2

Formula: C30 H30 Cu6 I7 N12 O2 P2 (C30 H30 Cu6 I7 N12 O2 P2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 8, 9, 14, 18, 26, 21
  • 1, 2, 4, 5, 4, 9, 10, 18, 20, 30
  • 1, 2, 4, 8, 7, 12, 17, 22, 19, 23
  • 1, 2, 4, 10, 10, 14, 18, 26, 21, 27
  • 1, 2, 5, 8, 7, 14, 12, 22, 26, 38
  • 1, 3, 6, 6, 12, 9, 18, 18, 30, 42
  • 2, 6, 8, 16, 16, 21, 18, 20, 21, 32
  • 3, 4, 3, 8, 9, 14, 18, 26, 21, 27
  • 3, 4, 5, 4, 9, 10, 18, 20, 30, 27
  • 3, 4, 8, 7, 12, 17, 22, 19, 23, 23
  • 3, 4, 10, 10, 14, 18, 26, 21, 27, 29
  • 3, 5, 8, 7, 14, 12, 22, 26, 38, 43
  • 3, 6, 6, 10, 10, 18, 20, 30, 27, 35
  • 3, 9, 9, 13, 17, 22, 19, 23, 23, 32
  • 4, 6, 6, 12, 9, 18, 18, 30, 42, 54
  • 6, 8, 14, 17, 21, 18, 19, 21, 28, 34
  • 6, 12, 12, 24, 18, 18, 18, 24, 24, 48
span 1 {1 1 1}

CIF datablock 2, entity 3 of 6

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

Dimensionality: 2

Formula: C30 H30 Cu6 I7 N12 O2 P2 (C30 H30 Cu6 I7 N12 O2 P2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 8, 9, 14, 18, 26, 21
  • 1, 2, 4, 5, 4, 9, 10, 18, 20, 30
  • 1, 2, 4, 8, 7, 12, 17, 22, 19, 23
  • 1, 2, 4, 10, 10, 14, 18, 26, 21, 27
  • 1, 2, 5, 8, 7, 14, 12, 22, 26, 38
  • 1, 3, 6, 6, 12, 9, 18, 18, 30, 42
  • 2, 6, 8, 16, 16, 21, 18, 20, 21, 32
  • 3, 4, 3, 8, 9, 14, 18, 26, 21, 27
  • 3, 4, 5, 4, 9, 10, 18, 20, 30, 27
  • 3, 4, 8, 7, 12, 17, 22, 19, 23, 23
  • 3, 4, 10, 10, 14, 18, 26, 21, 27, 29
  • 3, 5, 8, 7, 14, 12, 22, 26, 38, 43
  • 3, 6, 6, 10, 10, 18, 20, 30, 27, 35
  • 3, 9, 9, 13, 17, 22, 19, 23, 23, 32
  • 4, 6, 6, 12, 9, 18, 18, 30, 42, 54
  • 6, 8, 14, 17, 21, 18, 19, 21, 28, 34
  • 6, 12, 12, 24, 18, 18, 18, 24, 24, 48
span 1 {1 1 1}

CIF datablock 3, entity 4 of 6

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

Dimensionality: 2

Formula: C30 H30 Cu6 I7 N12 O2 P2 (C30 H30 Cu6 I7 N12 O2 P2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 8, 9, 14, 18, 26, 21
  • 1, 2, 4, 5, 4, 9, 10, 18, 20, 30
  • 1, 2, 4, 8, 7, 12, 17, 22, 19, 23
  • 1, 2, 4, 10, 10, 14, 18, 26, 21, 27
  • 1, 2, 5, 8, 7, 14, 12, 22, 26, 38
  • 1, 3, 6, 6, 12, 9, 18, 18, 30, 42
  • 2, 6, 8, 16, 16, 21, 18, 20, 21, 32
  • 3, 4, 3, 8, 9, 14, 18, 26, 21, 27
  • 3, 4, 5, 4, 9, 10, 18, 20, 30, 27
  • 3, 4, 8, 7, 12, 17, 22, 19, 23, 23
  • 3, 4, 10, 10, 14, 18, 26, 21, 27, 29
  • 3, 5, 8, 7, 14, 12, 22, 26, 38, 43
  • 3, 6, 6, 10, 10, 18, 20, 30, 27, 35
  • 3, 9, 9, 13, 17, 22, 19, 23, 23, 32
  • 4, 6, 6, 12, 9, 18, 18, 30, 42, 54
  • 6, 8, 14, 17, 21, 18, 19, 21, 28, 34
  • 6, 12, 12, 24, 18, 18, 18, 24, 24, 48
span 1 {1 1 1}

CIF datablock 4, entity 5 of 6

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

Dimensionality: 2

Formula: C30 H30 Cu6 I7 N12 O2 P2 (C30 H30 Cu6 I7 N12 O2 P2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 8, 9, 14, 18, 26, 21
  • 1, 2, 4, 5, 4, 9, 10, 18, 20, 30
  • 1, 2, 4, 8, 7, 12, 17, 22, 19, 23
  • 1, 2, 4, 10, 10, 14, 18, 26, 21, 27
  • 1, 2, 5, 8, 7, 14, 12, 22, 26, 38
  • 1, 3, 6, 6, 12, 9, 18, 18, 30, 42
  • 2, 6, 8, 16, 16, 21, 18, 20, 21, 32
  • 3, 4, 3, 8, 9, 14, 18, 26, 21, 27
  • 3, 4, 5, 4, 9, 10, 18, 20, 30, 27
  • 3, 4, 8, 7, 12, 17, 22, 19, 23, 23
  • 3, 4, 10, 10, 14, 18, 26, 21, 27, 29
  • 3, 5, 8, 7, 14, 12, 22, 26, 38, 43
  • 3, 6, 6, 10, 10, 18, 20, 30, 27, 35
  • 3, 9, 9, 13, 17, 22, 19, 23, 23, 32
  • 4, 6, 6, 12, 9, 18, 18, 30, 42, 54
  • 6, 8, 14, 17, 21, 18, 19, 21, 28, 34
  • 6, 12, 12, 24, 18, 18, 18, 24, 24, 48
span 1 {1 1 1}

CIF datablock 5, entity 6 of 6

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

Dimensionality: 2

Formula: C30 H30 Cu6 I7 N12 O2 P2 (C30 H30 Cu6 I7 N12 O2 P2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 8, 9, 14, 18, 26, 21
  • 1, 2, 4, 5, 4, 9, 10, 18, 20, 30
  • 1, 2, 4, 8, 7, 12, 17, 22, 19, 23
  • 1, 2, 4, 10, 10, 14, 18, 26, 21, 27
  • 1, 2, 5, 8, 7, 14, 12, 22, 26, 38
  • 1, 3, 6, 6, 12, 9, 18, 18, 30, 42
  • 2, 6, 8, 16, 16, 21, 18, 20, 21, 32
  • 3, 4, 3, 8, 9, 14, 18, 26, 21, 27
  • 3, 4, 5, 4, 9, 10, 18, 20, 30, 27
  • 3, 4, 8, 7, 12, 17, 22, 19, 23, 23
  • 3, 4, 10, 10, 14, 18, 26, 21, 27, 29
  • 3, 5, 8, 7, 14, 12, 22, 26, 38, 43
  • 3, 6, 6, 10, 10, 18, 20, 30, 27, 35
  • 3, 9, 9, 13, 17, 22, 19, 23, 23, 32
  • 4, 6, 6, 12, 9, 18, 18, 30, 42, 54
  • 6, 8, 14, 17, 21, 18, 19, 21, 28, 34
  • 6, 12, 12, 24, 18, 18, 18, 24, 24, 48
span 1 {1 1 1}