Structure 7126858

7126857 << 7126858 >> 7126859
Original COD entry Download CIF Download DOT

Citation: Garc\'ia-Valdivia, Antonio A; Romero, Francisco J.; Cepeda, Javier; Morales, Diego P.; Casati, Nicola; Mota, Antonio J.; Zotti, Linda A.; Palacios, Juan J.; Choquesillo-Lazarte, Duane; F Salmer\'on, Jos\'e; Rivadeneyra, Almudena; Rodr\'iguez-Di\'eguez, Antonio (2020). Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD.. Chemical communications (Cambridge, England), 56, pp. 9473-9476.

Formula: C5 H2 Cu N3 O

Cell parameters:

  • a = 8.056(3) Å
  • b = 10.787(3) Å
  • c = 6.0093(18) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: C20 H8 Cu4 N12 O4 (C5 H2 Cu N3 O)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 8, 13, 31, 62, 99, 133, 171
  • 1, 2, 4, 8, 13, 31, 62, 99, 137, 176
  • 1, 2, 4, 11, 23, 45, 73, 104, 139, 181
  • 2, 3, 8, 15, 35, 64, 100, 138, 175, 220
  • 2, 5, 14, 30, 45, 69, 102, 140, 187, 239
  • 3, 4, 8, 13, 31, 62, 99, 133, 171, 213
  • 3, 4, 8, 13, 31, 62, 99, 137, 176, 221
  • 3, 4, 11, 23, 45, 73, 104, 139, 181, 231
  • 3, 5, 4, 13, 34, 70, 110, 144, 180, 228
  • 3, 8, 14, 29, 51, 79, 114, 152, 196, 254
  • 3, 8, 14, 29, 51, 79, 114, 154, 199, 253
  • 5, 13, 27, 44, 64, 87, 117, 157, 210, 263
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