Accuracy

ruthenium(iii) trifluoride   5055 Ruthenium(III) trifluoride

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    #  Species Formula
  5045 Ru(C4H4N2COO)2(H2O)2C10H10N4O6Ru
  5046 Ru(C4H4N2COO)2(H2O)2 (Geo)C10H10N4O6Ru
  5047 Ru(NO2)4(CO)(H2O)(2+) (ILEVOK) (Geo)CH2N4O10Ru
  5048 Ru(III)(Ox)3(3-) (DUKNOM) (Geo)C6O12Ru
  5049 Ru(III)(Ox)3(3-) (DUKNOM)C6O12Ru
  5050 Ruthenium(I) fluoride (Geo)FRu
  5051 Ruthenium(I) fluorideFRu
  5052 Ruthenium(IV) oxide difluoride (Geo)OF2Ru
  5053 Ruthenium(IV) oxide difluorideOF2Ru
  5054 Ruthenium(III) trifluoride (Geo)F3Ru
  5055 Ruthenium(III) trifluoride F3Ru
  5056 Ru(III)F6 2T2gF6Ru
  5057 Ru(Cp)(CO)CP (CIMXAX) (Geo)C20H27O2PRu
  5058 Ru(CO)4(PEt3)C10H15O4PRu
  5059 Ru(CO)4(PEt3) (Geo)C10H15O4PRu
  5060 Ru(0)P5 (DOWFIE) (Geo)C15H42P5Ru
  5061 Ruthenium(I) chloride (Geo)ClRu
  5062 Ruthenium(I) chlorideClRu
  5063 [Ru(NH3)5Cl]++ (Geo)H15N5ClRu
  5064 RuN4SCl(+) (LUNXOH) (Geo)H12N4O2SClRu
  5065 RuN4SCl(+) (LUNXOH)H12N4O2SClRu


ΔHf: -91.7 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
Dipole: 2.0 Debye,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 UHF SEXTET RELSCF=10 PM7
Ruthenium(III) trifluoride
 D=2.015 DR=PW91D H=-91.7 HR=PW91D
 Ru     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.87555843 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.81386461 +1  147.2762371 +1    0.0000000 +0     1     2     0
  F     1.87372489 +1   66.2616649 +1 -179.9986179 +1     1     2     3