Structure 7062872

7062871 << 7062872 >> 7062892
Original COD entry Download CIF Download DOT

Citation: Scanda, K.; Avila, Y.; S\'anchez, L.; Mojica, R.; Gonz\'alez, M.; Moreno, B. D.; Avila, Manuel; Reguera, E. (2023). Thermally-induced spin-crossover (SCO) in Fe(4-ethynylpyrdine)2[Fe(CN)5NO]. Why is the SCO observed in 2D ferrous nitroprussides despite the NO--NC repulsive interaction in the interlayer region?. New Journal of Chemistry, 47, pp. 21834-21844.

Formula: C19 H10 Fe2 N8 O

Chemical name: Iron (4-Ethynylpyrdine) nitroprusside

Cell parameters:

  • a = 19.7722(2) Å
  • b = 7.1039(3) Å
  • c = 7.0931(3) Å
  • α = 90.0000°
  • β = 90.0000°
  • γ = 90.0000°

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: C20 H10 Fe2 N10 O2 (C10 H5 Fe N5 O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: C20 H10 Fe2 N10 O2 (C10 H5 Fe N5 O)

Multiplicity: 1

span 1 {1 1 1}