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4841 Dimethyl niobium bromide

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  #           Species Formula
  4831 Nb(V)Cl4O2 (WIGKIG)C12H17O2Cl4Nb
  4832 Nb(IV)Cl4P2 (CUHVIK) (Geo)C12H30P2Cl4Nb
  4833 Niobium pentachloride (Geo)Cl5Nb
  4834 Niobium(V) pentachlorideCl5Nb
  4835 Nb(V)Cl5N (CFNTNB) (Geo)CHNCl5Nb
  4836 Nb(V)Cl5N (CFNTNB)CHNCl5Nb
  4837 Nb(V)Cl6(-) (SIWLAL) (Geo)Cl6Nb
  4838 Niobium(V) hexachloride, anionCl6Nb
  4839 Nb(V)Cl5N (NUYDAM) (Geo)C2NCl8Nb
  4840 Nb(V)Cl5N (NUYDAM)C2NCl8Nb
  4841 Dimethyl niobium bromide C2H6BrNb
  4842 Dimethyl niobium bromide (Geo)C2H6BrNb
  4843 Niobium(III) tribromideBr3Nb
  4844 Niobium(V) oxide tribromide (Geo)OBr3Nb
  4845 Niobium(V) oxide tribromideOBr3Nb
  4846 NbS3Br3 (CANBEY) (Geo)C8H16S3Br3Nb
  4847 NbS3Br3 (CANBEY)C8H16S3Br3Nb
  4848 niobium(V) tetrabromide, cation (Geo)Br4Nb
  4849 niobium(V) tetrabromide, cationBr4Nb
  4850 Niobium pentabromide (Geo)Br5Nb
  4851 Niobium(V) pentabromideBr5Nb



DHf: 52.4 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.

  
 SHIFT=80
Dimethyl niobium bromide
 H=52.4 HR=PW91D
 Nb         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  C         2.17792647 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  C         2.17828279 +1  119.4425427 +1    0.0000000 +0    1    2    0       0.0000
 Br         2.45895304 +1  120.0299769 +1  178.3205209 +1    1    2    3       0.0000
  H         1.08789955 +1  108.0291980 +1 -177.4495724 +1    2    1    3       0.0000
  H         1.09041271 +1  105.3478944 +1  120.3875245 +1    2    1    5       0.0000
  H         1.09076473 +1  105.1210947 +1  119.3206539 +1    2    1    6       0.0000
  H         1.08797868 +1  107.9528042 +1  177.5522808 +1    3    1    2       0.0000
  H         1.09056799 +1  105.2334275 +1  120.2987980 +1    3    1    8       0.0000
  H         1.09038902 +1  105.3426666 +1  119.3811231 +1    3    1    9       0.0000