Structure 7110920

7110904 << 7110920 >> 7110926
Original COD entry Download CIF Download DOT

Citation: Sassoye, Capucine; Loiseau, Thierry; F\'erey, G\'erard; Taulelle, Francis (2000). A new open-framework fluorinated gallium phosphate with large 18-ring channels (MIL-31). Chemical Communications, , pp. 943-.

Formula: C20 H60 F3 Ga9 N4 O41 P9

Chemical name: ?

Cell parameters:

  • a = 17.49410(10) Å
  • b = 32.3930(4) Å
  • c = 10.0749(2) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

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: F16 Ga36 O152 P36 (F4 Ga9 O38 P9)

Multiplicity: 1

Coordination sequences:

  • 1, 5, 5, 14, 11, 37, 21, 53, 31, 92
  • 2, 6, 6, 18, 14, 44, 24, 67, 40, 101
  • 2, 6, 6, 19, 13, 38, 24, 69, 39, 104
  • 2, 6, 6, 19, 13, 38, 25, 68, 35, 97
  • 2, 6, 6, 20, 14, 39, 24, 67, 37, 99
  • 2, 7, 6, 18, 12, 35, 22, 67, 39, 99
  • 2, 7, 6, 18, 12, 36, 25, 68, 35, 87
  • 2, 7, 6, 19, 13, 38, 24, 62, 35, 96
  • 2, 7, 6, 19, 13, 39, 26, 68, 36, 93
  • 2, 7, 6, 19, 13, 41, 25, 66, 36, 96
  • 2, 7, 6, 19, 13, 41, 27, 75, 39, 100
  • 2, 7, 6, 20, 13, 38, 27, 74, 35, 94
  • 2, 7, 6, 20, 14, 37, 24, 68, 41, 109
  • 2, 7, 6, 20, 14, 40, 25, 73, 41, 109
  • 2, 7, 6, 21, 14, 38, 23, 68, 37, 97
  • 2, 7, 7, 20, 14, 42, 24, 70, 42, 106
  • 2, 7, 7, 21, 13, 38, 27, 76, 39, 99
  • 2, 7, 7, 21, 14, 40, 25, 68, 37, 101
  • 2, 7, 7, 22, 12, 35, 23, 68, 40, 103
  • 2, 7, 7, 22, 15, 44, 27, 68, 37, 98
  • 2, 7, 7, 22, 15, 46, 28, 74, 39, 105
  • 2, 7, 7, 23, 14, 42, 28, 80, 40, 100
  • 2, 7, 7, 24, 15, 40, 25, 65, 37, 102
  • 2, 7, 7, 24, 15, 42, 25, 68, 37, 99
  • 2, 7, 7, 24, 15, 42, 25, 68, 40, 113
  • 2, 8, 6, 18, 13, 35, 23, 67, 40, 104
  • 2, 8, 6, 18, 13, 37, 24, 74, 42, 107
  • 2, 8, 6, 18, 13, 39, 24, 68, 37, 96
  • 2, 8, 6, 20, 15, 42, 25, 69, 35, 95
  • 2, 8, 7, 20, 13, 36, 24, 72, 43, 105
  • 2, 8, 7, 20, 14, 41, 25, 71, 41, 102
  • 2, 8, 7, 20, 14, 43, 26, 76, 43, 108
  • 2, 8, 7, 22, 14, 38, 26, 80, 43, 109
  • 2, 8, 7, 22, 15, 46, 24, 64, 41, 107
  • 2, 8, 7, 22, 16, 45, 24, 67, 39, 108
  • 2, 8, 8, 23, 13, 37, 26, 76, 44, 107
  • 2, 8, 8, 23, 13, 39, 27, 83, 46, 111
  • 2, 9, 6, 16, 11, 37, 23, 58, 33, 99
  • 2, 9, 7, 18, 12, 36, 25, 69, 40, 110
  • 2, 9, 7, 18, 12, 41, 27, 73, 41, 111
  • 2, 9, 7, 18, 13, 43, 28, 71, 38, 102
  • 2, 9, 7, 18, 13, 45, 29, 76, 40, 110
  • 4, 4, 12, 9, 31, 21, 53, 29, 88, 50
  • 4, 4, 14, 11, 30, 19, 60, 34, 84, 47
  • 4, 4, 15, 10, 26, 16, 54, 34, 85, 43
  • 4, 4, 15, 11, 28, 18, 59, 36, 87, 44
  • 4, 4, 16, 11, 27, 18, 56, 36, 91, 48
  • 4, 4, 16, 11, 27, 18, 63, 38, 95, 49
  • 4, 4, 16, 12, 32, 20, 58, 32, 81, 49
  • 4, 4, 16, 12, 32, 20, 63, 34, 85, 50
  • 4, 4, 17, 12, 30, 20, 65, 36, 92, 47
  • 4, 4, 17, 12, 32, 19, 58, 33, 82, 46
  • 5, 5, 15, 10, 31, 21, 54, 32, 94, 49
  • 5, 5, 15, 10, 32, 19, 52, 32, 92, 48
  • 5, 5, 15, 10, 33, 23, 58, 31, 84, 48
  • 5, 5, 15, 10, 34, 22, 58, 33, 94, 49
  • 5, 5, 15, 10, 35, 24, 60, 33, 96, 49
  • 6, 5, 14, 11, 37, 21, 53, 31, 92, 51
  • 6, 6, 16, 11, 33, 22, 62, 38, 101, 49
  • 6, 6, 16, 11, 35, 23, 67, 40, 107, 48
span 1 {1 1 1}