pti2(nh3)2r

PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

pti2(nh3)2r 7776 cis-Pt(NH3)2I2 (Geo)

#	Species	Formula
7766	trans-Pt(PEt3)2(Allyl)Br (Geo)	C15H35P2BrPt
7767	Pt(II)Br2N2 (ACHPTB) (Geo)	C6H12N2Br2Pt
7768	Pt(II)Br2N2 (ACHPTB)	C6H12N2Br2Pt
7769	Platinum(IV) oxide dibromide	OBr2Pt
7770	Platinum(IV) oxide dibromide (Geo)	OBr2Pt
7771	Pt(II)Br2N2 (BGLYPT) (Geo)	C4H10N2O4Br2Pt
7772	Pt(II)Br2N2 (BGLYPT)	C4H10N2O4Br2Pt
7773	Methyl platinum(II) iodide	CH3IPt
7774	Methyl platinum(II) iodide (Geo)	CH3IPt
7775	Pt(1,2-C2H4(SPh)2))BrI (Geo)	C14H14S2BrIPt
7776	cis-Pt(NH3)2I2 (Geo)	H6N2I2Pt
7777	Pt(II)I2N2 (DIPYPT) (Geo)	C10H10N2I2Pt
7778	Pt(II)I2N2 (DIPYPT)	C10H10N2I2Pt
7779	Pt(IV)N4I2(2+) (BEVMAQ) (Geo)	C4H16N4I2Pt
7780	Pt(IV)N4I2(2+) (BEVMAQ)	C4H16N4I2Pt
7781	Platinum(IV) oxide diiodide	OI2Pt
7782	Platinum(IV) oxide diiodide (Geo)	OI2Pt
7783	Pt(II)I2N2 (CUPCAR) (Geo)	C6H6N2O2I2Pt
7784	Pt(II)I2N2 (CUPCAR)	C6H6N2O2I2Pt
7785	Pt(IV)C2I2O2 (BIFCOI) (Geo)	C8H12O2I4Pt
7786	Pt(IV)C2I2O2 (BIFCOI)	C8H12O2I4Pt

REF: Raudaschl-Sieber G., Lippert B., Britten J.F., Beauchamp A.L. Inorg. Chim. Acta 124, 213 (1986).

  
 SYMMETRY SHIFT=80 PULAY RELSCF=0.1 PM7
cis-Pt(NH3)2I2
 <Pt-I> <I-Pt-I> <Pt-N> <><> GR=RLBB86
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.58500000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.58500000 +0   93.4000000 +1    0.0000000 +0     1     2     0
  N     2.05000000 +1   87.3927179 +1 -179.9873074 +1     1     3     2
  N     2.05000000 +0   91.8708337 +1 -179.9579634 +1     1     4     3
  H     1.00833702 +1  114.2150600 +1 -179.8214655 +1     4     1     3
  H     1.01451481 +1  111.6364280 +1  -59.5920971 +1     4     1     3
  H     1.01448410 +1  111.6007615 +1   59.9641312 +1     4     1     3
  H     1.00830220 +1  114.2046093 +1  179.2152138 +1     5     1     2
  H     1.01440810 +1  111.5720331 +1  -60.5361505 +1     5     1     2
  H     1.01449162 +1  111.6790441 +1   58.9540428 +1     5     1     2