Structure 7241286

7241282 << 7241286 >> 7241287
Original COD entry Download CIF Download DOT

Citation: Zhu, Bin; Huang, Guimei; He, Yanni; Xie, Jisheng; He, Tao; Wang, Junli; Zong, Ziao (2020). Synthesis and characterization of MOFs constructed from 5-(benzimidazole-1-yl)isophthalic acid and highly selective fluorescence detection of Fe(iii) and Cr(vi) in water. RSC Advances, 10, pp. 34943-34952.

Formula: C38 H34 N6 Ni O10

Cell parameters:

  • a = 22.951(5) Å
  • b = 10.686(2) Å
  • c = 16.444(3) Å
  • α = 90°
  • β = 118.415(4)°
  • γ = 90°

List type: interleaving

List: 2D

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 2

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

Dimensionality: 2

Formula: C60 H32 N8 Ni2 O16 (C30 H16 N4 Ni O8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 9, 10, 19, 19, 31, 33, 38
  • 1, 2, 4, 3, 3, 4, 9, 9, 17, 14
  • 1, 2, 4, 3, 3, 7, 8, 16, 15, 26
  • 1, 2, 4, 5, 5, 9, 9, 17, 14, 31
  • 1, 2, 4, 5, 8, 8, 16, 15, 26, 19
  • 1, 2, 4, 7, 3, 12, 18, 32, 35, 47
  • 1, 2, 4, 7, 6, 11, 16, 26, 33, 46
  • 1, 2, 4, 9, 14, 17, 17, 23, 27, 35
  • 2, 7, 9, 18, 17, 27, 24, 29, 36, 33
  • 2, 7, 9, 18, 17, 27, 24, 29, 36, 34
  • 3, 3, 9, 10, 19, 19, 31, 33, 38, 42
  • 3, 3, 9, 10, 19, 19, 31, 33, 38, 44
  • 3, 4, 3, 3, 4, 9, 9, 17, 14, 31
  • 3, 4, 3, 3, 7, 8, 16, 15, 26, 19
  • 3, 4, 5, 5, 9, 9, 17, 14, 31, 31
  • 3, 4, 5, 8, 8, 16, 15, 26, 19, 33
  • 3, 4, 7, 3, 12, 18, 32, 35, 47, 43
  • 3, 4, 7, 6, 11, 16, 26, 33, 46, 46
  • 3, 4, 7, 6, 11, 16, 26, 33, 46, 47
  • 3, 4, 9, 14, 17, 17, 23, 27, 35, 43
  • 3, 6, 4, 10, 12, 23, 29, 42, 41, 45
  • 3, 6, 7, 9, 10, 17, 26, 40, 46, 50
  • 3, 6, 7, 10, 9, 17, 14, 31, 31, 46
  • 3, 6, 8, 11, 12, 14, 22, 35, 43, 44
  • 3, 6, 10, 9, 16, 15, 26, 19, 33, 32
  • 3, 9, 10, 17, 17, 24, 22, 25, 31, 33
  • 6, 8, 16, 16, 26, 22, 26, 28, 24, 40
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: C60 H32 N8 Ni2 O16 (C30 H16 N4 Ni O8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 9, 10, 19, 19, 31, 33, 38
  • 1, 2, 4, 3, 3, 4, 9, 9, 17, 14
  • 1, 2, 4, 3, 3, 7, 8, 16, 15, 26
  • 1, 2, 4, 5, 5, 9, 9, 17, 14, 31
  • 1, 2, 4, 5, 8, 8, 16, 15, 26, 19
  • 1, 2, 4, 7, 3, 12, 18, 32, 35, 47
  • 1, 2, 4, 7, 6, 11, 16, 26, 33, 46
  • 1, 2, 4, 9, 14, 17, 17, 23, 27, 35
  • 2, 7, 9, 18, 17, 27, 24, 29, 36, 33
  • 2, 7, 9, 18, 17, 27, 24, 29, 36, 34
  • 3, 3, 9, 10, 19, 19, 31, 33, 38, 42
  • 3, 3, 9, 10, 19, 19, 31, 33, 38, 44
  • 3, 4, 3, 3, 4, 9, 9, 17, 14, 31
  • 3, 4, 3, 3, 7, 8, 16, 15, 26, 19
  • 3, 4, 5, 5, 9, 9, 17, 14, 31, 31
  • 3, 4, 5, 8, 8, 16, 15, 26, 19, 33
  • 3, 4, 7, 3, 12, 18, 32, 35, 47, 43
  • 3, 4, 7, 6, 11, 16, 26, 33, 46, 46
  • 3, 4, 7, 6, 11, 16, 26, 33, 46, 47
  • 3, 4, 9, 14, 17, 17, 23, 27, 35, 43
  • 3, 6, 4, 10, 12, 23, 29, 42, 41, 45
  • 3, 6, 7, 9, 10, 17, 26, 40, 46, 50
  • 3, 6, 7, 10, 9, 17, 14, 31, 31, 46
  • 3, 6, 8, 11, 12, 14, 22, 35, 43, 44
  • 3, 6, 10, 9, 16, 15, 26, 19, 33, 32
  • 3, 9, 10, 17, 17, 24, 22, 25, 31, 33
  • 6, 8, 16, 16, 26, 22, 26, 28, 24, 40
span 1 {1 1 1}