Structure 4512217

4512216 << 4512217 >> 4512218
Original COD entry Download CIF Download DOT

Citation: Bala, Sukhen; Bhattacharya, Sudeshna; Goswami, Arijit; Adhikary, Amit; Konar, Sanjit; Mondal, Raju (2014). Designing Functional Metal--Organic Frameworks by Imparting a Hexanuclear Copper-Based Secondary Building Unit Specific Properties: Structural Correlation With Magnetic and Photocatalytic Activity. Crystal Growth & Design, 14, pp. 6391-.

Formula: C17 H20 Cu3 N7 O8

Chemical name: ?

Cell parameters:

  • a = 28.4090(8) Å
  • b = 28.4090(8) Å
  • c = 18.2259(11) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 120.00°

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 3

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

Dimensionality: 2

Formula: C96 H72 Cu18 N42 O36 (C16 H12 Cu3 N7 O6)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 8, 12, 18, 23, 27, 27, 24
  • 1, 2, 3, 9, 14, 13, 22, 20, 27, 26
  • 1, 2, 4, 2, 6, 8, 12, 12, 11, 13
  • 1, 2, 4, 2, 7, 8, 13, 11, 9, 12
  • 1, 2, 4, 5, 6, 10, 11, 12, 12, 15
  • 1, 2, 4, 5, 9, 13, 23, 28, 30, 22
  • 1, 2, 4, 6, 7, 11, 11, 9, 9, 14
  • 1, 2, 4, 6, 8, 10, 13, 10, 12, 10
  • 1, 2, 4, 6, 8, 10, 13, 10, 12, 15
  • 1, 2, 4, 7, 8, 11, 12, 8, 11, 15
  • 1, 2, 4, 8, 10, 13, 16, 19, 24, 33
  • 1, 2, 4, 10, 11, 15, 22, 26, 28, 29
  • 1, 5, 9, 14, 13, 9, 9, 14, 19, 35
  • 2, 6, 9, 15, 16, 15, 19, 26, 24, 27
  • 2, 7, 11, 15, 18, 8, 16, 21, 31, 38
  • 3, 3, 8, 12, 18, 23, 27, 27, 24, 14
  • 3, 3, 9, 14, 13, 22, 20, 27, 26, 23
  • 3, 4, 2, 6, 8, 12, 12, 11, 13, 12
  • 3, 4, 2, 7, 8, 13, 11, 9, 12, 12
  • 3, 4, 2, 7, 8, 13, 11, 9, 12, 17
  • 3, 4, 5, 6, 10, 11, 12, 12, 15, 16
  • 3, 4, 5, 9, 13, 23, 28, 30, 22, 21
  • 3, 4, 6, 7, 11, 11, 9, 9, 14, 19
  • 3, 4, 6, 8, 10, 13, 10, 12, 10, 20
  • 3, 4, 6, 8, 10, 13, 10, 12, 15, 18
  • 3, 4, 7, 8, 11, 12, 8, 11, 15, 21
  • 3, 4, 8, 10, 13, 16, 19, 24, 33, 23
  • 3, 4, 10, 11, 15, 22, 26, 28, 29, 17
  • 3, 6, 6, 7, 18, 25, 34, 26, 18, 15
  • 3, 6, 6, 11, 19, 30, 32, 26, 16, 18
  • 3, 7, 8, 10, 11, 12, 12, 15, 16, 28
  • 3, 8, 9, 11, 11, 9, 9, 14, 19, 35
  • 3, 8, 10, 10, 13, 10, 12, 10, 20, 32
  • 3, 8, 10, 10, 13, 10, 12, 15, 18, 35
  • 3, 9, 10, 11, 12, 8, 11, 15, 21, 38
  • 3, 9, 10, 13, 13, 11, 18, 29, 29, 35
  • 3, 10, 10, 17, 10, 11, 13, 14, 30, 45
  • 5, 8, 13, 13, 12, 12, 15, 16, 28, 39
  • 6, 9, 14, 13, 9, 9, 14, 19, 35, 42
  • 6, 10, 13, 15, 10, 12, 10, 20, 32, 50
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

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

Dimensionality: 2

Formula: C96 H72 Cu18 N42 O36 (C16 H12 Cu3 N7 O6)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 8, 12, 18, 23, 27, 27, 24
  • 1, 2, 3, 9, 14, 13, 22, 20, 27, 26
  • 1, 2, 4, 2, 6, 8, 12, 12, 11, 13
  • 1, 2, 4, 2, 7, 8, 13, 11, 9, 12
  • 1, 2, 4, 5, 6, 10, 11, 12, 12, 15
  • 1, 2, 4, 5, 9, 13, 23, 28, 30, 22
  • 1, 2, 4, 6, 7, 11, 11, 9, 9, 14
  • 1, 2, 4, 6, 8, 10, 13, 10, 12, 10
  • 1, 2, 4, 6, 8, 10, 13, 10, 12, 15
  • 1, 2, 4, 7, 8, 11, 12, 8, 11, 15
  • 1, 2, 4, 8, 10, 13, 16, 19, 24, 33
  • 1, 2, 4, 10, 11, 15, 22, 26, 28, 29
  • 1, 5, 9, 14, 13, 9, 9, 14, 19, 35
  • 2, 6, 9, 15, 16, 15, 19, 26, 24, 27
  • 2, 7, 11, 15, 18, 8, 16, 21, 31, 38
  • 3, 3, 8, 12, 18, 23, 27, 27, 24, 14
  • 3, 3, 9, 14, 13, 22, 20, 27, 26, 23
  • 3, 4, 2, 6, 8, 12, 12, 11, 13, 12
  • 3, 4, 2, 7, 8, 13, 11, 9, 12, 12
  • 3, 4, 2, 7, 8, 13, 11, 9, 12, 17
  • 3, 4, 5, 6, 10, 11, 12, 12, 15, 16
  • 3, 4, 5, 9, 13, 23, 28, 30, 22, 21
  • 3, 4, 6, 7, 11, 11, 9, 9, 14, 19
  • 3, 4, 6, 8, 10, 13, 10, 12, 10, 20
  • 3, 4, 6, 8, 10, 13, 10, 12, 15, 18
  • 3, 4, 7, 8, 11, 12, 8, 11, 15, 21
  • 3, 4, 8, 10, 13, 16, 19, 24, 33, 23
  • 3, 4, 10, 11, 15, 22, 26, 28, 29, 17
  • 3, 6, 6, 7, 18, 25, 34, 26, 18, 15
  • 3, 6, 6, 11, 19, 30, 32, 26, 16, 18
  • 3, 7, 8, 10, 11, 12, 12, 15, 16, 28
  • 3, 8, 9, 11, 11, 9, 9, 14, 19, 35
  • 3, 8, 10, 10, 13, 10, 12, 10, 20, 32
  • 3, 8, 10, 10, 13, 10, 12, 15, 18, 35
  • 3, 9, 10, 11, 12, 8, 11, 15, 21, 38
  • 3, 9, 10, 13, 13, 11, 18, 29, 29, 35
  • 3, 10, 10, 17, 10, 11, 13, 14, 30, 45
  • 5, 8, 13, 13, 12, 12, 15, 16, 28, 39
  • 6, 9, 14, 13, 9, 9, 14, 19, 35, 42
  • 6, 10, 13, 15, 10, 12, 10, 20, 32, 50
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

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

Dimensionality: 2

Formula: C96 H72 Cu18 N42 O36 (C16 H12 Cu3 N7 O6)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 8, 12, 18, 23, 27, 27, 24
  • 1, 2, 3, 9, 14, 13, 22, 20, 27, 26
  • 1, 2, 4, 2, 6, 8, 12, 12, 11, 13
  • 1, 2, 4, 2, 7, 8, 13, 11, 9, 12
  • 1, 2, 4, 5, 6, 10, 11, 12, 12, 15
  • 1, 2, 4, 5, 9, 13, 23, 28, 30, 22
  • 1, 2, 4, 6, 7, 11, 11, 9, 9, 14
  • 1, 2, 4, 6, 8, 10, 13, 10, 12, 10
  • 1, 2, 4, 6, 8, 10, 13, 10, 12, 15
  • 1, 2, 4, 7, 8, 11, 12, 8, 11, 15
  • 1, 2, 4, 8, 10, 13, 16, 19, 24, 33
  • 1, 2, 4, 10, 11, 15, 22, 26, 28, 29
  • 1, 5, 9, 14, 13, 9, 9, 14, 19, 35
  • 2, 6, 9, 15, 16, 15, 19, 26, 24, 27
  • 2, 7, 11, 15, 18, 8, 16, 21, 31, 38
  • 3, 3, 8, 12, 18, 23, 27, 27, 24, 14
  • 3, 3, 9, 14, 13, 22, 20, 27, 26, 23
  • 3, 4, 2, 6, 8, 12, 12, 11, 13, 12
  • 3, 4, 2, 7, 8, 13, 11, 9, 12, 12
  • 3, 4, 2, 7, 8, 13, 11, 9, 12, 17
  • 3, 4, 5, 6, 10, 11, 12, 12, 15, 16
  • 3, 4, 5, 9, 13, 23, 28, 30, 22, 21
  • 3, 4, 6, 7, 11, 11, 9, 9, 14, 19
  • 3, 4, 6, 8, 10, 13, 10, 12, 10, 20
  • 3, 4, 6, 8, 10, 13, 10, 12, 15, 18
  • 3, 4, 7, 8, 11, 12, 8, 11, 15, 21
  • 3, 4, 8, 10, 13, 16, 19, 24, 33, 23
  • 3, 4, 10, 11, 15, 22, 26, 28, 29, 17
  • 3, 6, 6, 7, 18, 25, 34, 26, 18, 15
  • 3, 6, 6, 11, 19, 30, 32, 26, 16, 18
  • 3, 7, 8, 10, 11, 12, 12, 15, 16, 28
  • 3, 8, 9, 11, 11, 9, 9, 14, 19, 35
  • 3, 8, 10, 10, 13, 10, 12, 10, 20, 32
  • 3, 8, 10, 10, 13, 10, 12, 15, 18, 35
  • 3, 9, 10, 11, 12, 8, 11, 15, 21, 38
  • 3, 9, 10, 13, 13, 11, 18, 29, 29, 35
  • 3, 10, 10, 17, 10, 11, 13, 14, 30, 45
  • 5, 8, 13, 13, 12, 12, 15, 16, 28, 39
  • 6, 9, 14, 13, 9, 9, 14, 19, 35, 42
  • 6, 10, 13, 15, 10, 12, 10, 20, 32, 50
span 1 {1 1 1}