Accuracy

sn(iv)(en)3   5514 Sn(IV)(En)3

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  5504 TetraethyltinC8H20Sn
  5505 PhenyltrimethylstannaneC9H14Sn
  5506 TetraphenyltinC24H20Sn
  5507 Triphenyl phenylethynyl tinC26H20Sn
  5508 DimethylaminetrimethyltinC5H15NSn
  5509 Sn(Et)3(NEt2)C10H25NSn
  5510 Sn(IV)N4C (WAYYOK) (Geo)C12H20N4Sn
  5511 Sn(IV)N4C (WAYYOK)C12H20N4Sn
  5512 Sn(II)N4 (VURFUJ) (Geo)C22H22N4Sn
  5513 Sn(II)N4 (VURFUJ)C22H22N4Sn
  5514 Sn(IV)(En)3 C6H24N6Sn
  5515 Sn(IV)(En)3 (Geo)C6H24N6Sn
  5516 Tin oxide (Geo)OSn
  5517 Tin oxideOSn
  5518 Tin tetramethoxide (Geo)C4H12O4Sn
  5519 Tin tetramethoxideC4H12O4Sn
  5520 Sn(IV)O4C2 (ACDMSN) (Geo)C12H20O4Sn
  5521 Sn(IV)O4C2 (ACDMSN)C12H20O4Sn
  5522 Sn(IV)(H2O)3(OH)3H9O6Sn
  5523 Sn(IV)(H2O)3(OH)3 (Geo)H9O6Sn
  5524 Sn(IV)(H2O)4(OH)2H10O6Sn


ΔHf: 995.1 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.
  
 CHARGE=4 PM7
Sn(IV)(En)3
 H=995.1 HR=PW91D
 Sn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.24211807 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.24055235 +1   78.4569578 +1    0.0000000 +0     1     2     0
  N     2.24179247 +1   92.4922035 +1   97.9573037 +1     1     2     3
  N     2.24121972 +1  166.4450690 +1  -47.3262567 +1     1     2     4
  N     2.24225943 +1   92.0580980 +1  139.8758254 +1     1     2     5
  N     2.24143459 +1   98.2746476 +1   78.5916256 +1     1     2     6
  C     1.52808522 +1  111.0969551 +1   13.3190515 +1     3     1     2
  C     1.52074102 +1  110.0319016 +1  -37.5530110 +1     8     3     1
  C     1.52803573 +1  111.0999957 +1   62.0062423 +1     5     1     2
  C     1.52061435 +1  110.0079801 +1  -37.6823672 +1    10     5     1
  C     1.52812158 +1  111.0875693 +1  -76.9772882 +1     7     1     2
  C     1.52067736 +1  110.0188896 +1  -37.6571942 +1    12     7     1
  H     1.12022208 +1  109.9477341 +1  124.8948604 +1     8     3     9
  H     1.12050606 +1  112.7817328 +1  -74.0124176 +1     9     8     3
  H     1.12016902 +1  109.9607315 +1  124.8874403 +1    10     5    11
  H     1.12056910 +1  112.7787065 +1  -73.9826933 +1    11    10     5
  H     1.12016489 +1  109.9552615 +1  124.8992764 +1    12     7    13
  H     1.12057476 +1  112.7679585 +1  -74.0157740 +1    13    12     7
  H     1.13756607 +1  110.0299826 +1 -114.8056183 +1    13    12    19
  H     1.13744820 +1  110.4129960 +1  113.4580888 +1     8     3    14
  H     1.13743286 +1  110.4162353 +1  113.4623590 +1    12     7    18
  H     1.13755478 +1  110.0171320 +1 -114.8274766 +1     9     8    15
  H     1.13743128 +1  110.4242186 +1  113.4578701 +1    10     5    16
  H     1.13751377 +1  110.0387486 +1 -114.8344456 +1    11    10    17
  H     1.04674664 +1  113.9844606 +1  133.9966357 +1     2     1     3
  H     1.04689312 +1  114.0186771 +1  121.3294991 +1     3     1     8
  H     1.04684982 +1  114.0259550 +1  121.3186563 +1     5     1    10
  H     1.04688933 +1  113.9466973 +1  -35.9662188 +1     4     1     2
  H     1.04682252 +1  113.9198517 +1 -128.1443122 +1     6     1     2
  H     1.04691703 +1  114.0192448 +1  121.3124695 +1     7     1    12
  H     1.04620294 +1  113.2047743 +1  117.8003534 +1     2     1    26
  H     1.04629477 +1  113.2124602 +1  117.8020382 +1     7     1    31
  H     1.04631473 +1  113.1905468 +1  117.7860765 +1     3     1    27
  H     1.04623130 +1  113.2147423 +1  117.7717161 +1     4     1    29
  H     1.04635040 +1  113.1957099 +1  117.8016399 +1     5     1    28
  H     1.04612810 +1  113.2447264 +1  117.7695902 +1     6     1    30