Structure 7014138

7014126 << 7014138 >> 7014139
Original COD entry Download CIF Download DOT

Citation: Humphrey, Simon M.; Mole, Richard A.; Rawson, Jeremy M.; Wood, Paul T. (2004). Hydrothermal synthesis and magnetic properties of novel Mn(II) and Zn(II) materials with thiolato-carboxylate donor ligand frameworks.. Dalton transactions (Cambridge, England : 2003), , pp. 1670-1678.

Formula: C56 H34 Mn5 O18 S8

Cell parameters:

  • a = 8.9619(2) Å
  • b = 12.0924(3) Å
  • c = 13.6786(4) Å
  • α = 82.3830(10)°
  • β = 86.7680(12)°
  • γ = 78.8418(8)°

List type: noninterleaving

List: 3D

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 1

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

Dimensionality: 3

Formula: C56 H34 Mn5 O18 S8 (C56 H34 Mn5 O18 S8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 2, 3, 4, 12, 16, 24
  • 1, 2, 4, 3, 2, 3, 4, 13, 17, 25
  • 1, 2, 4, 3, 2, 3, 5, 15, 18, 23
  • 1, 2, 4, 3, 2, 3, 5, 15, 18, 25
  • 1, 2, 4, 3, 3, 3, 9, 13, 24, 27
  • 1, 2, 4, 3, 3, 3, 10, 14, 25, 28
  • 1, 2, 4, 3, 3, 4, 12, 15, 24, 30
  • 1, 2, 4, 3, 3, 4, 12, 15, 26, 30
  • 1, 2, 4, 4, 4, 4, 12, 16, 24, 33
  • 1, 2, 4, 4, 4, 4, 13, 17, 25, 34
  • 1, 2, 4, 4, 4, 5, 15, 18, 23, 34
  • 1, 2, 4, 4, 4, 5, 15, 18, 25, 33
  • 1, 2, 4, 5, 4, 9, 13, 24, 27, 43
  • 1, 2, 4, 5, 4, 10, 14, 25, 28, 46
  • 1, 2, 4, 5, 5, 12, 15, 24, 30, 51
  • 1, 2, 4, 5, 5, 12, 15, 26, 30, 50
  • 1, 3, 12, 12, 21, 26, 49, 54, 56, 58
  • 2, 3, 6, 9, 8, 12, 22, 33, 44, 64
  • 2, 3, 6, 9, 8, 13, 23, 34, 43, 67
  • 2, 3, 6, 9, 9, 14, 21, 33, 45, 69
  • 2, 3, 6, 9, 9, 14, 22, 32, 46, 71
  • 2, 5, 8, 19, 21, 30, 34, 55, 59, 66
  • 2, 5, 8, 19, 21, 30, 34, 55, 59, 67
  • 2, 7, 10, 20, 23, 35, 38, 51, 55, 71
  • 2, 7, 11, 20, 20, 34, 40, 56, 61, 66
  • 2, 7, 11, 21, 23, 36, 39, 53, 57, 69
  • 2, 7, 11, 22, 24, 36, 40, 56, 59, 66
  • 3, 4, 3, 2, 3, 4, 12, 16, 24, 33
  • 3, 4, 3, 2, 3, 4, 13, 17, 25, 34
  • 3, 4, 3, 2, 3, 5, 15, 18, 23, 34
  • 3, 4, 3, 2, 3, 5, 15, 18, 25, 33
  • 3, 4, 3, 3, 3, 9, 13, 24, 27, 43
  • 3, 4, 3, 3, 3, 10, 14, 25, 28, 46
  • 3, 4, 3, 3, 4, 12, 15, 24, 30, 51
  • 3, 4, 3, 3, 4, 12, 15, 26, 30, 50
  • 3, 4, 4, 4, 4, 12, 16, 24, 33, 52
  • 3, 4, 4, 4, 4, 13, 17, 25, 34, 55
  • 3, 4, 4, 4, 5, 15, 18, 23, 34, 60
  • 3, 4, 4, 4, 5, 15, 18, 25, 33, 58
  • 3, 4, 5, 4, 9, 13, 24, 27, 43, 53
  • 3, 4, 5, 4, 10, 14, 25, 28, 46, 59
  • 3, 4, 5, 5, 12, 15, 24, 30, 51, 57
  • 3, 4, 5, 5, 12, 15, 26, 30, 50, 60
  • 3, 4, 12, 15, 22, 24, 43, 47, 58, 71
  • 3, 4, 13, 16, 23, 25, 46, 53, 60, 69
  • 3, 5, 6, 5, 12, 16, 24, 33, 52, 64
  • 3, 5, 6, 5, 13, 17, 25, 34, 55, 68
  • 3, 5, 6, 6, 15, 18, 23, 34, 60, 69
  • 3, 5, 6, 6, 15, 18, 25, 33, 58, 72
  • 3, 5, 15, 17, 22, 27, 52, 53, 51, 63
  • 3, 5, 15, 17, 24, 27, 51, 57, 55, 62
  • 3, 6, 6, 10, 13, 24, 27, 43, 53, 67
  • 3, 6, 6, 11, 14, 25, 28, 46, 59, 69
  • 3, 6, 7, 13, 15, 24, 30, 51, 57, 60
  • 3, 6, 7, 13, 15, 26, 30, 50, 60, 63
  • 3, 9, 12, 21, 22, 39, 44, 52, 57, 69
  • 3, 11, 15, 24, 28, 48, 48, 54, 61, 85
  • 4, 6, 14, 15, 28, 32, 43, 48, 62, 67
  • 4, 12, 12, 21, 26, 49, 54, 56, 58, 79
  • 6, 9, 18, 21, 37, 40, 49, 52, 71, 81
  • 6, 10, 18, 18, 36, 42, 54, 58, 66, 70
span 1 {1 1 1}