Formula O4F6N8S14H108C134
Reduced formula O2F3N4S7H54C67
Stoichiometry A2B3C4D7E54F67
Number of species 6
Number of atoms 274
Unique ID 9
Packing density 0.028
Dipole moment [Debye] 4.256
HOMO-LUMO gap (B3LYP) [eV] 2.799
HOMO (B3LYP) [eV] -5.206
LUMO (B3LYP) [eV] -2.408
Unit Dimer
GS Energy [eV] -328883.962
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 49.780 0.000 0.000 No
2 0.000 16.888 0.000 No
3 0.000 0.000 14.351 No
Lengths [Å] 49.780 16.888 14.351
Angles [°] 90.000 90.000 90.000
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