Structure 1000458

1000457 << 1000458 >> 1000460
Original COD entry Download CIF Download DOT

Citation: Loiseau, T; Taulelle, F; Ferey, G (1997). Crystal structure and solid-state nuclear magnetic resonance characterization of an oxyfluorinated three-dimensional framework gallophosphate with ULM-4 structural type. Structural relationships with (Ga As O4)-2. Microporous Materials, 9, pp. 83-93.

Formula: C2.25 H10.5 F2 Ga3 N1.5 O12.5 P3

Chemical name: Trigallium tris(phosphate(V)) difluoride - 1,3-diaminopropane - oxonium(1/0.75/0.5)

Cell parameters:

  • a = 8.674(1) Å
  • b = 10.190(2) Å
  • c = 16.82599(300) Å
  • α = 90°
  • β = 94.21(2)°
  • γ = 90°

List type: interleaving

List: 1-3D

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 3

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

Dimensionality: 3

Formula: F8 Ga12 O48 P12 (F2 Ga3 O12 P3)

Multiplicity: 1

Coordination sequences:

  • 2, 7, 6, 19, 13, 40, 28, 78, 45, 125
  • 2, 7, 6, 19, 13, 40, 28, 79, 45, 124
  • 2, 7, 6, 19, 13, 41, 27, 73, 45, 130
  • 2, 7, 6, 20, 14, 39, 26, 75, 48, 138
  • 2, 7, 7, 22, 14, 42, 29, 84, 52, 144
  • 2, 7, 7, 22, 15, 45, 30, 82, 47, 134
  • 2, 7, 7, 23, 15, 42, 28, 83, 53, 147
  • 2, 7, 7, 24, 15, 42, 28, 78, 49, 140
  • 2, 8, 6, 18, 13, 36, 24, 75, 47, 128
  • 2, 8, 7, 20, 14, 42, 27, 82, 51, 132
  • 2, 8, 7, 21, 14, 39, 26, 82, 52, 135
  • 2, 8, 8, 23, 13, 38, 27, 85, 53, 133
  • 2, 9, 7, 18, 12, 39, 28, 78, 48, 142
  • 2, 9, 7, 18, 13, 44, 30, 81, 47, 136
  • 4, 4, 16, 11, 27, 18, 60, 41, 109, 59
  • 4, 4, 16, 12, 31, 20, 66, 43, 113, 63
  • 4, 4, 16, 12, 32, 21, 66, 40, 105, 63
  • 5, 5, 15, 10, 33, 23, 60, 38, 120, 69
  • 5, 5, 15, 10, 34, 25, 65, 37, 112, 67
  • 6, 6, 16, 11, 34, 23, 69, 44, 123, 64
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (1;0;0)

Dimensionality: 1

Formula: C6 N6 O2 (C3 N3 O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (1;0;0)

Dimensionality: 1

Formula: C6 N6 O2 (C3 N3 O)

Multiplicity: 1

span 1 {1 1 1}