Accuracy

Au(III)Cl2N2(plus) (BATTOF) r   7848 Au(III)Cl2N2(+) (BATTOF) (Geo)

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    #  Species Formula
  7838 Au(I)S2(+) (AFAWUZ)C2H8N4S2Au
  7839 Au(IV)S4 (JEKGAH) (Geo)C12H8S4Au
  7840 Au(IV)S4 (JEKGAH)C12H8S4Au
  7841 Gold(I) chloride (Geo)ClAu
  7842 Gold(I) chlorideClAu
  7843 Au(III)N3Cl(2+) (AEMAUP) (Geo)C4H13N3ClAu
  7844 Au(I)SCl (GOJLAS) (Geo)C2H6SClAu
  7845 Au(I)Cl2(-) (GANJOU) (Geo)Cl2Au
  7846 Gold(I) dichloride, anionCl2Au
  7847 Methyl gold(III) dichloride (Geo)CH3Cl2Au
  7848 Au(III)Cl2N2(+) (BATTOF) (Geo) C11H10N2O2Cl2Au
  7849 Au(III)Cl2ON (KUDNAY) (Geo)C6H3NO3Cl2Au
  7850 Au(III)NCl3 (PYAUCL10) (Geo)C5H5NCl3Au
  7851 Au(III)NCl3 (HIHCIK) (Geo)C6H7NOCl3Au
  7852 Au(III)Cl4(-) (BENYAU) (Geo)Cl4Au
  7853 Gold(iii) tetrachloride, anionCl4Au
  7854 Gold(I) bromide (Geo)BrAu
  7855 Gold(I) bromideBrAu
  7856 Au(I)SBr (GIGWAU) (Geo)C2H6SBrAu
  7857 Au(I)SBr (GIGWAU)C2H6SBrAu
  7858 Au(I)Br2(-) (DOYMAF) (Geo)Br2Au


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 CHARGE=1 UHF RELSCF=50 PM7
Au(III)Cl2N2(+) (BATTOF)
 <Au-Cl> <><Cl-Au-Cl> <><><> <><><> <Au-N> GR=CCDC
 Au     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.25776400 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.22893210 +1   89.6401680 +1    0.0000000 +0     1     2     0
  O     4.35145260 +1  122.7981685 +1 -133.4893144 +1     1     2     3
  O     2.29533098 +1   31.6831461 +1   65.9292657 +1     4     1     2
  N     2.07898400 +1   56.7311073 +1 -179.1771150 +1     1     4     2
  N     2.00823956 +1   89.8431666 +1  179.8584541 +1     1     2     3
  C     1.35491140 +1  124.9495008 +1 -137.3388020 +1     6     1     7
  C     1.40374361 +1  120.8811423 +1 -177.9882996 +1     8     6     1
  C     1.38982572 +1  119.5301675 +1    0.0993596 +1     9     8     6
  C     1.39903156 +1  119.4461088 +1    0.5826673 +1    10     9     8
  C     1.36427667 +1  115.3826028 +1 -176.8405786 +1     6     1     8
  C     1.35677338 +1  123.6177758 +1  -44.5372082 +1     7     1     2
  C     1.40421057 +1  120.9484565 +1  177.4716023 +1    13     7     1
  C     1.38898628 +1  119.6147034 +1   -0.1549891 +1    14    13     7
  C     1.39964164 +1  119.3666197 +1    0.1653224 +1    15    14    13
  C     1.36851627 +1  116.9100331 +1  177.4511880 +1     7     1    13
  C     1.38914100 +1   34.7729419 +1   -5.2110794 +1     4     5     1
  H     0.99487095 +1  111.0702439 +1  162.9615321 +1     4     1     7
  H     0.99431362 +1   91.3145636 +1 -126.2245180 +1     5     4     1
  H     1.10478404 +1  117.1602835 +1 -179.9297139 +1     8     6     9
  H     1.09633099 +1  119.3521943 +1  179.9342763 +1     9     8    10
  H     1.09767056 +1  120.5703620 +1  179.7542366 +1    10     9    11
  H     1.09558375 +1  120.9185923 +1 -179.7357606 +1    11    10     9
  H     1.10587921 +1  117.3187283 +1 -179.9234010 +1    13     7    14
  H     1.09689196 +1  119.2210646 +1 -179.7921041 +1    14    13    15
  H     1.09797533 +1  120.6726027 +1 -179.8290294 +1    15    14    16
  H     1.09945575 +1  121.1073521 +1 -179.8064422 +1    16    15    14