Structure 1559961

1559960 << 1559961 >> 1559963
Original COD entry Download CIF Download DOT

Citation: Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Sch\"onleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander (2021). Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate. IUCrJ, 8, pp. 139-147.

Formula: C7 H4 N Na O4.875 S

Cell parameters:

  • a = 18.57290(10) Å
  • b = 7.08190(10) Å
  • c = 29.02330(10) Å
  • α = 89.9808(13)°
  • β = 93.51100(10)°
  • γ = 89.9763(14)°

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;1;0)

Dimensionality: 1

Formula: C49 H28 N7 Na20 O45 S7 (C49 H28 N7 Na20 O45 S7)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C49 H28 N7 Na20 O45 S7 (C49 H28 N7 Na20 O45 S7)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C49 H28 N7 Na20 O45 S7 (C49 H28 N7 Na20 O45 S7)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C49 H28 N7 Na20 O45 S7 (C49 H28 N7 Na20 O45 S7)

Multiplicity: 1

span 1 {1 1 1}