Structure 1571459

1571445 << 1571459 >> 1571464
Original COD entry Download CIF Download DOT

Citation: Sikdar, Nivedita; Laha, Subhajit; Jena, Rohan; Dey, Anupam; Rahimi, Faruk Ahamed; Maji, Tapas Kumar (2024). An Adsorbate Biased Dynamic 3D Porous Framework for Inverse CO2 Sieving over C2H2. Chemical Science, , pp. -.

Formula: C36 H18 Ni4 O19

Cell parameters:

  • a = 7.07440(10) Å
  • b = 13.6038(3) Å
  • c = 20.6602(4) Å
  • α = 98.9030(10)°
  • β = 96.0020(10)°
  • γ = 101.5900(10)°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: C72 H36 Ni8 O32 (C18 H9 Ni2 O8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 5, 5, 13, 26, 41
  • 1, 2, 4, 3, 3, 5, 5, 14, 30, 49
  • 1, 2, 4, 3, 3, 5, 6, 17, 34, 35
  • 1, 2, 4, 5, 6, 5, 13, 26, 41, 56
  • 1, 2, 4, 5, 6, 5, 14, 30, 49, 50
  • 1, 2, 4, 5, 6, 6, 17, 34, 35, 65
  • 1, 2, 4, 5, 7, 16, 27, 41, 56, 72
  • 1, 2, 4, 5, 7, 17, 31, 49, 50, 79
  • 1, 2, 4, 5, 8, 20, 35, 35, 65, 84
  • 2, 9, 15, 24, 33, 40, 60, 81, 100, 115
  • 2, 9, 15, 24, 33, 40, 60, 82, 104, 119
  • 2, 9, 16, 23, 33, 40, 60, 81, 100, 112
  • 2, 9, 16, 24, 34, 42, 61, 80, 99, 113
  • 2, 9, 16, 24, 34, 42, 61, 81, 102, 117
  • 2, 14, 25, 21, 39, 56, 76, 101, 108, 108
  • 3, 4, 3, 3, 5, 5, 13, 26, 41, 56
  • 3, 4, 3, 3, 5, 5, 14, 30, 49, 50
  • 3, 4, 3, 3, 5, 6, 17, 34, 35, 65
  • 3, 4, 5, 6, 5, 13, 26, 41, 56, 72
  • 3, 4, 5, 6, 5, 14, 30, 49, 50, 79
  • 3, 4, 5, 6, 6, 17, 34, 35, 65, 84
  • 3, 4, 5, 7, 16, 27, 41, 56, 72, 114
  • 3, 4, 5, 7, 17, 31, 49, 50, 79, 123
  • 3, 4, 5, 8, 20, 35, 35, 65, 84, 110
  • 3, 4, 15, 20, 30, 33, 44, 83, 101, 118
  • 3, 4, 15, 20, 30, 33, 45, 87, 108, 109
  • 3, 5, 19, 28, 24, 42, 58, 84, 109, 126
  • 3, 6, 7, 15, 18, 28, 41, 57, 98, 116
  • 3, 6, 7, 15, 18, 29, 45, 65, 91, 122
  • 3, 6, 8, 6, 13, 26, 41, 56, 72, 114
  • 3, 6, 8, 6, 14, 30, 49, 50, 79, 123
  • 3, 6, 8, 7, 17, 34, 35, 65, 84, 110
  • 3, 6, 8, 19, 26, 22, 50, 71, 98, 122
  • 3, 13, 19, 20, 39, 50, 62, 84, 103, 107
  • 3, 16, 18, 24, 37, 54, 78, 94, 100, 106
  • 8, 15, 21, 30, 40, 62, 83, 92, 102, 136
  • 8, 16, 21, 31, 42, 63, 82, 91, 100, 138
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