Structure 1548784

1548783 << 1548784 >> 1548786
Original COD entry Download CIF Download DOT

Citation: Pham, Phuc H.; Doan, Son H.; Tran, Hang T. T.; Nguyen, Ngoc N.; Phan, Anh N. Q.; Le, Ha V.; Tu, Thach N.; Phan, Nam T. S. (2018). A new transformation of coumarins via direct C--H bond activation utilizing an iron--organic framework as a recyclable catalyst. Catalysis Science & Technology, 8, pp. 1267-.

Formula: C39.1 H24.5 Fe3 N2.1 O15.7

Cell parameters:

  • a = 12.6797(3) Å
  • b = 13.5123(4) Å
  • c = 23.9480(7) Å
  • α = 90°
  • β = 90°
  • γ = 90°

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: C132 H60 Fe12 O56 (C33 H15 Fe3 O14)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 5, 5, 12, 12, 19, 33, 53
  • 1, 2, 4, 5, 5, 12, 12, 20, 33, 51
  • 1, 2, 4, 5, 6, 5, 12, 22, 27, 39
  • 1, 2, 4, 5, 6, 5, 12, 22, 28, 39
  • 1, 2, 4, 5, 6, 6, 15, 20, 28, 41
  • 1, 2, 4, 5, 6, 6, 15, 20, 28, 42
  • 1, 2, 4, 5, 6, 16, 14, 21, 34, 58
  • 1, 2, 4, 5, 6, 16, 14, 21, 34, 59
  • 1, 2, 4, 7, 5, 19, 19, 41, 46, 86
  • 1, 2, 4, 7, 5, 19, 19, 42, 46, 84
  • 1, 2, 4, 7, 5, 20, 20, 39, 43, 84
  • 1, 2, 4, 7, 6, 10, 11, 19, 33, 53
  • 1, 2, 4, 7, 6, 10, 11, 20, 33, 51
  • 1, 2, 4, 7, 7, 14, 13, 21, 34, 58
  • 1, 2, 4, 7, 7, 14, 13, 21, 34, 59
  • 2, 6, 8, 17, 18, 34, 32, 51, 42, 72
  • 2, 7, 8, 16, 18, 36, 33, 62, 50, 75
  • 2, 7, 8, 16, 18, 36, 33, 65, 54, 77
  • 2, 7, 8, 17, 18, 33, 32, 50, 42, 74
  • 2, 7, 8, 17, 18, 35, 33, 62, 50, 75
  • 2, 7, 8, 17, 18, 35, 33, 64, 54, 79
  • 2, 7, 9, 18, 19, 36, 32, 47, 41, 64
  • 2, 7, 9, 18, 19, 38, 32, 56, 49, 70
  • 2, 7, 9, 18, 19, 38, 32, 56, 49, 71
  • 2, 7, 10, 22, 21, 39, 36, 54, 47, 71
  • 3, 4, 5, 5, 12, 12, 19, 33, 53, 54
  • 3, 4, 5, 5, 12, 12, 20, 33, 51, 54
  • 3, 4, 5, 6, 5, 12, 22, 27, 39, 67
  • 3, 4, 5, 6, 5, 12, 22, 28, 39, 65
  • 3, 4, 5, 6, 6, 15, 20, 28, 41, 69
  • 3, 4, 5, 6, 6, 15, 20, 28, 42, 70
  • 3, 4, 5, 6, 16, 14, 21, 34, 58, 56
  • 3, 4, 5, 6, 16, 14, 21, 34, 59, 57
  • 3, 4, 7, 5, 19, 19, 41, 46, 86, 74
  • 3, 4, 7, 5, 19, 19, 42, 46, 84, 74
  • 3, 4, 7, 5, 20, 20, 39, 43, 84, 72
  • 3, 4, 7, 6, 10, 11, 19, 33, 53, 54
  • 3, 4, 7, 6, 10, 11, 20, 33, 51, 54
  • 3, 4, 7, 7, 14, 13, 21, 34, 58, 56
  • 3, 4, 7, 7, 14, 13, 21, 34, 59, 57
  • 3, 4, 12, 11, 21, 24, 58, 51, 80, 72
  • 3, 4, 13, 12, 19, 23, 43, 37, 56, 58
  • 3, 4, 13, 12, 20, 23, 41, 37, 57, 58
  • 3, 4, 13, 12, 21, 24, 57, 46, 70, 70
  • 3, 4, 13, 12, 22, 24, 56, 46, 69, 70
  • 3, 5, 17, 14, 22, 28, 50, 42, 64, 59
  • 3, 5, 17, 14, 22, 28, 51, 42, 62, 59
  • 3, 6, 5, 12, 12, 17, 22, 45, 48, 64
  • 3, 6, 5, 12, 12, 18, 22, 43, 48, 65
  • 3, 6, 5, 13, 12, 34, 38, 69, 64, 113
  • 3, 6, 5, 14, 13, 33, 35, 66, 63, 106
  • 3, 6, 5, 14, 13, 34, 35, 64, 63, 107
  • 3, 6, 6, 4, 4, 12, 22, 27, 39, 67
  • 3, 6, 6, 4, 4, 12, 22, 28, 39, 65
  • 3, 6, 6, 4, 5, 15, 20, 28, 41, 69
  • 3, 6, 6, 4, 5, 15, 20, 28, 42, 70
  • 3, 6, 6, 16, 14, 20, 27, 51, 49, 71
  • 3, 6, 6, 16, 14, 20, 27, 52, 49, 69
  • 3, 10, 10, 20, 23, 43, 38, 58, 46, 76
  • 3, 11, 10, 19, 23, 43, 38, 58, 46, 76
  • 3, 11, 11, 20, 23, 45, 38, 54, 47, 77
  • 3, 11, 11, 21, 23, 43, 38, 55, 47, 77
  • 6, 7, 14, 17, 35, 32, 53, 43, 70, 64
  • 6, 7, 15, 17, 34, 32, 52, 43, 72, 64
  • 6, 8, 16, 18, 37, 32, 49, 42, 62, 58
span 1 {1 1 1}