Structure 2243802

2243795 << 2243802 >> 2243818
Original COD entry Download CIF Download DOT

Citation: Pacifico, Jessica; Stoeckli-Evans, Helen (2021). A new tetrakis-substituted pyrazine carboxylic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetrapropionic acid: crystal structures of two triclinic polymorphs and of two potassium--organic frameworks. Acta Crystallographica Section E, 77, pp. 480-490.

Formula: C20 H27 K N2 O8 S4

Chemical name: Poly[(\m-3-{[(3,5,6-tris{[(2-carboxyethyl)sulfanyl]methyl}pyrazin-2-yl)methyl]sulfanyl}propanoato)potassium]

Cell parameters:

  • a = 30.080(4) Å
  • b = 8.4716(10) Å
  • c = 9.5908(12) Å
  • α = 90°
  • β = 94.717(11)°
  • γ = 90°

List type: interleaving

List: 1D

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span 1 {1 1 1}
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Molecules

CIF datablock 0, entity 1 of 2

Basis: (1;0;1)

Dimensionality: 1

Formula: C40 H54 N4 O16 S8 (C20 H27 N2 O8 S4)

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;0;1)

Dimensionality: 1

Formula: C40 H54 N4 O16 S8 (C20 H27 N2 O8 S4)

span 1 {1 1 1}