Structure 7019564

7019542 << 7019564 >> 7019567
Original COD entry Download CIF Download DOT

Citation: Song, Li-Cheng; Sun, Xiao-Jing; Zhao, Pei-Hua; Li, Jia-Peng; Song, Hai-Bin (2012). Synthesis, characterization and some properties of mononuclear Ni and trinuclear NiFe(2) complexes related to the active site of [NiFe]-hydrogenases.. Dalton transactions (Cambridge, England : 2003), 41, pp. 8941-8950.

Formula: C23.5 H33 Cl2 N2 Ni O2.5 S2

Cell parameters:

  • a = 13.449(3) Å
  • b = 22.132(9) Å
  • c = 8.0234(16) Å
  • α = 90.00°
  • β = 99.12(3)°
  • γ = 90.00°

List type: interleaving

List: 1D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 4, entity 5 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C14 O2 (C7 O)

Multiplicity: 1

Coordination sequences:

  • 5, 4, 5, 6, 5, 5, 6, 5, 5, 6
  • 5, 6, 6, 5, 6, 5, 5, 6, 5, 5
  • 6, 5, 6, 6, 4, 6, 6, 4, 6, 6
  • 6, 6, 5, 5, 6, 5, 5, 6, 5, 5
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CIF datablock 5, entity 6 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C14 O2 (C7 O)

Multiplicity: 1

Coordination sequences:

  • 5, 4, 5, 6, 5, 5, 6, 5, 5, 6
  • 5, 6, 6, 5, 6, 5, 5, 6, 5, 5
  • 6, 5, 6, 6, 4, 6, 6, 4, 6, 6
  • 6, 6, 5, 5, 6, 5, 5, 6, 5, 5
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CIF datablock 6, entity 7 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C14 O2 (C7 O)

Multiplicity: 1

Coordination sequences:

  • 5, 4, 5, 6, 5, 5, 6, 5, 5, 6
  • 5, 6, 6, 5, 6, 5, 5, 6, 5, 5
  • 6, 5, 6, 6, 4, 6, 6, 4, 6, 6
  • 6, 6, 5, 5, 6, 5, 5, 6, 5, 5
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CIF datablock 7, entity 8 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C14 O2 (C7 O)

Multiplicity: 1

Coordination sequences:

  • 5, 4, 5, 6, 5, 5, 6, 5, 5, 6
  • 5, 6, 6, 5, 6, 5, 5, 6, 5, 5
  • 6, 5, 6, 6, 4, 6, 6, 4, 6, 6
  • 6, 6, 5, 5, 6, 5, 5, 6, 5, 5
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