Formula S8C92N8O12F2H88
Reduced formula S4C46N4O6FH44
Stoichiometry AB4C4D6E44F46
Number of species 6
Number of atoms 210
Unique ID 8
Packing density 0.032
Dipole moment [Debye] 5.076
HOMO-LUMO gap (B3LYP) [eV] 2.066
HOMO (B3LYP) [eV] -4.663
LUMO (B3LYP) [eV] -2.597
Unit Dimer
GS Energy [eV] -225480.642
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 31.776 0.000 0.000 No
2 0.000 13.800 0.000 No
3 0.000 0.000 16.799 No
Lengths [Å] 31.776 13.800 16.799
Angles [°] 90.000 90.000 90.000
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