Structure 4112300

4112289 << 4112300 >> 4112307
Original COD entry Download CIF Download DOT

Citation: Ekaterina V. Anokhina; Allan J. Jacobson (2004). [Ni2O(l-Asp)(H2O)2].4H2O: A Homochiral 1D Helical Chain Hybrid Compound with Extended Ni-O-Ni Bonding. Journal of the American Chemical Society, 126, pp. 3044-3045.

Formula: C4 H13 N Ni2 O9

Chemical name: dinickel aspartato-diaqua-oxide tetrahydrate

Cell parameters:

  • a = 19.130(5) Å
  • b = 19.130(5) Å
  • c = 11.379(4) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: interleaving

List: 1D

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 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C16 N4 Ni8 O28 (C4 N Ni2 O7)

Multiplicity: 1

Coordination sequences:

  • 1, 7, 13, 17, 15, 14, 14, 14, 14, 14
  • 1, 7, 14, 15, 16, 14, 14, 14, 14, 14
  • 2, 4, 5, 15, 20, 19, 15, 15, 14, 14
  • 2, 9, 13, 13, 16, 14, 14, 14, 14, 14
  • 2, 9, 14, 14, 15, 13, 14, 14, 14, 14
  • 2, 9, 14, 20, 15, 13, 15, 14, 14, 14
  • 3, 4, 8, 15, 18, 16, 16, 15, 14, 14
  • 3, 4, 17, 18, 16, 16, 14, 14, 14, 14
  • 3, 5, 14, 16, 14, 15, 14, 14, 14, 14
  • 3, 13, 14, 14, 16, 14, 14, 14, 14, 14
  • 3, 13, 14, 16, 14, 14, 14, 14, 14, 14
  • 3, 15, 16, 18, 15, 14, 14, 14, 14, 14
  • 8, 13, 17, 15, 14, 14, 14, 14, 14, 14
  • 8, 14, 15, 16, 14, 14, 14, 14, 14, 14
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C16 N4 Ni8 O28 (C4 N Ni2 O7)

Multiplicity: 1

Coordination sequences:

  • 1, 7, 13, 17, 15, 14, 14, 14, 14, 14
  • 1, 7, 14, 15, 16, 14, 14, 14, 14, 14
  • 2, 4, 5, 15, 20, 19, 15, 15, 14, 14
  • 2, 9, 13, 13, 16, 14, 14, 14, 14, 14
  • 2, 9, 14, 14, 15, 13, 14, 14, 14, 14
  • 2, 9, 14, 20, 15, 13, 15, 14, 14, 14
  • 3, 4, 8, 15, 18, 16, 16, 15, 14, 14
  • 3, 4, 17, 18, 16, 16, 14, 14, 14, 14
  • 3, 5, 14, 16, 14, 15, 14, 14, 14, 14
  • 3, 13, 14, 14, 16, 14, 14, 14, 14, 14
  • 3, 13, 14, 16, 14, 14, 14, 14, 14, 14
  • 3, 15, 16, 18, 15, 14, 14, 14, 14, 14
  • 8, 13, 17, 15, 14, 14, 14, 14, 14, 14
  • 8, 14, 15, 16, 14, 14, 14, 14, 14, 14
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C16 N4 Ni8 O28 (C4 N Ni2 O7)

Multiplicity: 1

Coordination sequences:

  • 1, 7, 13, 17, 15, 14, 14, 14, 14, 14
  • 1, 7, 14, 15, 16, 14, 14, 14, 14, 14
  • 2, 4, 5, 15, 20, 19, 15, 15, 14, 14
  • 2, 9, 13, 13, 16, 14, 14, 14, 14, 14
  • 2, 9, 14, 14, 15, 13, 14, 14, 14, 14
  • 2, 9, 14, 20, 15, 13, 15, 14, 14, 14
  • 3, 4, 8, 15, 18, 16, 16, 15, 14, 14
  • 3, 4, 17, 18, 16, 16, 14, 14, 14, 14
  • 3, 5, 14, 16, 14, 15, 14, 14, 14, 14
  • 3, 13, 14, 14, 16, 14, 14, 14, 14, 14
  • 3, 13, 14, 16, 14, 14, 14, 14, 14, 14
  • 3, 15, 16, 18, 15, 14, 14, 14, 14, 14
  • 8, 13, 17, 15, 14, 14, 14, 14, 14, 14
  • 8, 14, 15, 16, 14, 14, 14, 14, 14, 14
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C16 N4 Ni8 O28 (C4 N Ni2 O7)

Multiplicity: 1

Coordination sequences:

  • 1, 7, 13, 17, 15, 14, 14, 14, 14, 14
  • 1, 7, 14, 15, 16, 14, 14, 14, 14, 14
  • 2, 4, 5, 15, 20, 19, 15, 15, 14, 14
  • 2, 9, 13, 13, 16, 14, 14, 14, 14, 14
  • 2, 9, 14, 14, 15, 13, 14, 14, 14, 14
  • 2, 9, 14, 20, 15, 13, 15, 14, 14, 14
  • 3, 4, 8, 15, 18, 16, 16, 15, 14, 14
  • 3, 4, 17, 18, 16, 16, 14, 14, 14, 14
  • 3, 5, 14, 16, 14, 15, 14, 14, 14, 14
  • 3, 13, 14, 14, 16, 14, 14, 14, 14, 14
  • 3, 13, 14, 16, 14, 14, 14, 14, 14, 14
  • 3, 15, 16, 18, 15, 14, 14, 14, 14, 14
  • 8, 13, 17, 15, 14, 14, 14, 14, 14, 14
  • 8, 14, 15, 16, 14, 14, 14, 14, 14, 14
span 1 {1 1 1}