Structure 7127658

7127642 << 7127658 >> 7127691
Original COD entry Download CIF Download DOT

Citation: Nakazato, Takumi; Shinokubo, Hiroshi; Miyake, Yoshihiro (2021). Complexation of 2,7-diazapyrene with boron for structural and electronic tuning.. Chemical communications (Cambridge, England), 57, pp. 327-330.

Formula: C60.5 H42 B2 N2 O4

Cell parameters:

  • a = 17.3635(5) Å
  • b = 15.4653(5) Å
  • c = 16.2291(6) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C60 H40 B2 N2 O4 (C30 H20 B N O2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C60 H40 B2 N2 O4 (C30 H20 B N O2)

Multiplicity: 1

span 1 {1 1 1}