Formula S14C132N10O18F8H112
Reduced formula S7C66N5O9F4H56
Stoichiometry A4B5C7D9E56F66
Number of species 6
Number of atoms 294
Unique ID 2
Packing density 0.030
Dipole moment [Debye] 6.569
HOMO-LUMO gap (B3LYP) [eV] 2.467
HOMO (B3LYP) [eV] -5.056
LUMO (B3LYP) [eV] -2.589
Unit Dimer
GS Energy [eV] -363948.643
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 47.601 0.000 0.000 No
2 0.000 16.546 0.000 No
3 0.000 0.000 15.187 No
Lengths [Å] 47.601 16.546 15.187
Angles [°] 90.000 90.000 90.000
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