Structure 1558716

1558715 << 1558716 >> 1558717
Original COD entry Download CIF Download DOT

Citation: McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Arg\=ueso, Jos\'e A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. (2020). Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework. Chemical Science, , pp. -.

Formula: C58 H58 Cu3 N6 O13

Cell parameters:

  • a = 7.7799(3) Å
  • b = 15.1586(9) Å
  • c = 15.4901(9) Å
  • α = 116.604(6)°
  • β = 100.395(4)°
  • γ = 98.422(4)°

List type: noninterleaving

List: 3D

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 1

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

Dimensionality: 3

Formula: C54 H48 Cu3 N6 O12 (C18 H16 Cu N2 O4)

Multiplicity: 2

span 1 {1 1 1}