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Rhodium(II) octanoate
Rhodium(II) octanoate
ID: BP-12225
CAS:73482-96-9
Supplier:BroadPharm

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SMILES:[Rh](OC(=O)CCCCCCC)OC(=O)CCCCCCC.[Rh](OC(=O)CCCCCCC)OC(=O)CCCCCCC	
FORMULA: C32H60O8Rh2
MASS: 778.6250
EXACT MASS: 778.2398269
INTERATOMIC DISTANCES

             Rh   1     Rh   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Rh   1    0.0000 
  Rh   2    1.5792     0.0000 
   C   3    1.0793     1.8319     0.0000 
   C   4    2.0344     1.0701     2.6918     0.0000 
   C   5    1.0218     1.7617     2.0879     1.6007     0.0000 
   C   6    2.0567     1.1917     1.5873     2.2466     2.6864     0.0000 
   O   7    0.7117     1.3622     0.5338     2.1638     1.6405     1.4368 
   O   8    0.6758     1.2938     1.6457     1.4299     0.5412     2.1484 
   O   9    2.0697     0.8032     1.8803     1.7867     2.4991     0.5390 
   O  10    2.0897     0.7284     2.5336     0.5375     1.9136     1.8085 
   O  11    1.0886     2.2231     2.1456     2.1380     0.5375     3.0271 
   O  12    1.1606     2.2853     0.5334     3.0466     2.1652     2.1197 
   O  13    1.5969     1.1256     2.4002     0.5416     1.0594     2.2972 
   O  14    1.6473     1.2655     1.0518     2.3235     2.4184     0.5375 
   C  15    2.5184     1.5831     3.2252     0.5375     1.9358     2.7319 
   C  16    1.5837     1.9640     0.5375     2.9412     2.5641     1.3635 
   C  17    2.5508     1.6935     1.9345     2.7202     3.2197     0.5355 
   C  18    1.5253     1.8825     2.5644     1.3957     0.5303     2.9483 
   C  19    1.9424     2.4150     3.0128     1.8256     0.9250     3.4846 
   C  20    2.0107     2.4968     0.9334     3.4784     3.0212     1.7835 
   C  21    2.6986     2.1149     1.8929     3.1713     3.4846     0.9250 
   C  22    2.6399     1.9938     3.4747     0.9292     1.8737     3.1755 
   C  23    3.7678     4.0481     4.8416     3.1670     2.7544     5.2010 
   C  24    4.1955     3.8393     5.1665     2.7795     3.2263     5.0250 
   C  25    4.3279     3.9968     3.3145     5.0548     5.2354     2.8084 
   C  26    3.8885     4.1639     2.8125     5.2138     4.9003     3.1342 
   C  27    3.3619     3.5383     4.4233     2.6405     2.3402     4.7012 
   C  28    4.0135     3.5312     3.0575     4.5754     4.8714     2.3398 
   C  29    3.4276     3.6191     2.3486     4.6735     4.4266     2.5819 
   C  30    3.9395     3.4181     4.8572     2.3485     3.0240     4.5906 
   C  31    3.4021     2.9293     4.3238     1.8667     2.4935     4.1129 
   C  32    2.9433     3.2945     1.8667     4.3238     3.9544     2.3631 
   C  33    2.4461     2.6834     3.5011     1.9004     1.4252     3.8191 
   C  34    3.2350     2.6128     2.3863     3.6515     4.0268     1.4244 
   C  35    3.4854     3.0558     2.5346     4.1129     4.3491     1.8667 
   C  36    2.8741     3.2125     3.9460     2.4177     1.8583     4.3413 
   C  37    2.5014     2.7579     1.4252     3.7914     3.4948     1.8416 
   C  38    3.1718     2.4948     4.0157     1.4252     2.3611     3.6603 
   C  39    4.6722     4.2388     5.6280     3.1702     3.7124     5.4144 
   C  40    4.3772     4.5301     3.2980     5.5935     5.3795     3.4388 
   C  41    4.8710     4.4849     3.8612     5.5327     5.7700     3.2932 
   C  42    4.1937     4.3242     5.2569     3.3731     3.1725     5.5003 

              O   7      O   8      O   9      O  10      O  11      O  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    1.1549     0.0000 
   O   9    1.5826     1.9868     0.0000 
   O  10    2.0359     1.6008     1.3098     0.0000 
   O  11    1.7950     0.9319     2.9110     2.4408     0.0000 
   O  12    0.9241     1.8226     2.4060     2.9563     2.0878     0.0000 
   O  13    1.8671     0.9454     1.9253     0.9334     1.5966     2.6868 
   O  14    0.9684     1.8798     0.9283     1.9771     2.6864     1.5832 
   C  15    2.6952     1.8781     2.2426     0.9334     2.4582     3.5668 
   C  16    0.9292     2.0837     1.7817     2.6919     2.6656     0.9262 
   C  17    1.8918     2.6806     0.9375     2.2467     3.5489     2.4487 
   C  18    2.0837     0.9292     2.6738     1.8256     0.9256     2.6813 
   C  19    2.5599     1.4211     3.2093     2.3013     1.0698     3.0669 
   C  20    1.4211     2.5686     2.2529     3.2252     3.0613     1.0751 
   C  21    1.9959     2.9445     1.4203     2.7236     3.7535     2.3573 
   C  22    2.9412     1.9668     2.7119     1.4211     2.3494     3.7563 
   C  23    4.3872     3.2397     4.8484     3.7044     2.7984     4.8709 
   C  24    4.6455     3.5400     4.5608     3.2605     3.5176     5.3557 
   C  25    3.6246     4.7087     3.2911     4.6002     5.4165     3.5975 
   C  26    3.2865     4.4404     3.6731     4.8720     4.9242     2.8611 
   C  27    3.9502     2.7959     4.3359     3.1780     2.4602     4.4921 
   C  28    3.3021     4.3359     2.7958     4.1046     5.0950     3.4062 
   C  29    2.7959     3.9502     3.1208     4.3238     4.4862     2.4667 
   C  30    4.3276     3.2684     4.1088     2.8000     3.3824     5.0904 
   C  31    3.7953     2.7310     3.6474     2.3486     2.8682     4.5531 
   C  32    2.3444     3.4969     2.8910     4.0157     3.9852     1.9414 
   C  33    3.0253     1.8709     3.4865     2.4240     1.6145     3.5876 
   C  34    2.5287     3.4864     1.8708     3.1797     4.2946     2.8193 
   C  35    2.7741     3.8152     2.3522     3.6603     4.5674     2.8979 
   C  36    3.4906     2.3444     4.0156     2.9461     1.9345     3.9875 
   C  37    1.8625     3.0169     2.3634     3.4784     3.5699     1.6125 
   C  38    3.4821     2.4967     3.1756     1.8667     2.8054     4.2949 
   C  39    5.1032     4.0115     4.9338     3.6250     4.0108     5.8313 
   C  40    3.7500     4.9043     3.9748     5.2203     5.4282     3.3825 
   C  41    4.1659     5.2406     3.7542     5.0630     5.9592     4.1417 
   C  42    4.7839     3.6294     5.1137     3.9071     3.2675     5.3183 

              O  13      O  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   O  13    0.0000 
   O  14    2.2465     0.0000 
   C  15    0.9334     2.8463     0.0000 
   C  16    2.7303     0.8559     3.4785     0.0000 
   C  17    2.8132     0.9262     3.1798     1.5832     0.0000 
   C  18    0.8927     2.7587     1.6009     3.0128     3.4827     0.0000 
   C  19    1.3759     3.2824     1.9117     3.4865     4.0194     0.5375 
   C  20    3.2580     1.3295     4.0158     0.5375     1.8795     3.4928 
   C  21    3.2074     1.0698     3.6520     1.4351     0.5282     3.8034 
   C  22    1.0755     3.2304     0.5339     3.7876     3.6474     1.4299 
   C  23    2.9232     5.0633     2.9439     5.3150     5.7264     2.3164 
   C  24    2.8238     5.0555     2.3330     5.5420     5.4972     2.6962 
   C  25    5.0757     2.8563     5.5315     2.7772     2.3583     5.6096 
   C  26    5.0685     2.8985     5.7419     2.3619     2.9027     5.3677 
   C  27    2.4128     4.5847     2.4177     4.8794     5.2231     1.8667 
   C  28    4.6312     2.4588     5.0379     2.5255     1.8583     5.2151 
   C  29    4.5438     2.3536     5.1994     1.8667     2.3603     4.8794 
   C  30    2.4693     4.6596     1.8666     5.1993     5.0462     2.4999 
   C  31    1.9437     4.1554     1.4252     4.6735     4.5838     1.9729 
   C  32    4.1485     2.0423     4.8573     1.4252     2.2505     4.4233 
   C  33    1.5686     3.6748     1.8297     3.9544     4.3476     0.9417 
   C  34    3.7213     1.6125     4.1130     1.8941     0.9333     4.3398 
   C  35    4.1408     1.9425     4.5907     2.0053     1.4244     4.7012 
   C  36    2.0989     4.1807     2.3012     4.4182     4.8714     1.4252 
   C  37    3.6303     1.5049     4.3238     0.9333     1.7798     3.9460 
   C  38    1.6166     3.7464     0.9333     4.3238     4.1130     1.8802 
   C  39    3.2622     5.4738     2.6916     5.9900     5.8712     3.1821 
   C  40    5.4851     3.2702     6.1132     2.8208     3.1372     5.8335 
   C  41    5.5782     3.3775     5.9963     3.3238     2.8167     6.1353 
   C  42    3.2036     5.4044     3.0749     5.7130     6.0161     2.7002 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    3.9461     0.0000 
   C  21    4.3335     1.5867     0.0000 
   C  22    1.6008     4.3200     4.1004     0.0000 
   C  23    1.8296     5.7750     6.0886     2.4208     0.0000 
   C  24    2.4574     6.0609     5.9500     1.8505     1.6016     0.0000 
   C  25    6.1262     2.5307     1.8835     5.9839     7.9190     7.8335 
   C  26    5.8252     1.8791     2.3841     6.1023     7.6541     7.8907 
   C  27    1.4252     5.3548     5.5972     1.8974     0.5284     1.3851 
   C  28    5.7409     2.3810     1.4244     5.5038     7.5095     7.3541 
   C  29    5.3506     1.4252     1.8474     5.5683     7.1800     7.3676 
   C  30    2.3662     5.7273     5.5137     1.4292     1.9448     0.5421 
   C  31    1.8802     5.1994     5.0378     0.9375     1.8448     0.9134 
   C  32    4.8794     0.9333     1.7873     5.1954     6.7083     6.9655 
   C  33    0.5448     4.4316     4.7012     1.3994     1.3888     1.9233 
   C  34    4.8714     1.9345     0.5427     4.5796     6.6168     6.4297 
   C  35    5.2244     1.8975     0.9417     5.0420     7.0022     6.8917 
   C  36    0.9333     4.8794     5.2163     1.8276     0.8968     1.8339 
   C  37    4.4182     0.5374     1.3657     4.6695     6.2473     6.4518 
   C  38    1.9380     4.8573     4.5823     0.5411     2.3137     1.4132 
   C  39    2.9513     6.5134     6.3379     2.2460     1.9687     0.4939 
   C  40    6.3039     2.3687     2.6090     6.4980     8.1333     8.3084 
   C  41    6.6553     3.0725     2.3721     6.4614     8.4400     8.3118 
   C  42    2.2534     6.1886     6.4048     2.5410     0.5292     1.3018 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    1.5787     0.0000 
   C  27    7.4406     7.2319     0.0000 
   C  28    0.5582     1.8917     7.0204     0.0000 
   C  29    1.4266     0.5524     6.7460     1.5826     0.0000 
   C  30    7.3954     7.5272     1.6009     6.9044     6.9954     0.0000 
   C  31    6.9213     7.0095     1.3957     6.4407     6.4809     0.5374 
   C  32    1.8883     0.9458     6.2868     1.9320     0.5375     6.6146 
   C  33    6.5308     6.3080     0.9250     6.1212     5.8210     1.8758 
   C  34    1.4358     2.2645     6.1212     0.9250     1.7798     5.9794 
   C  35    0.9418     1.7966     6.5176     0.5282     1.3635     6.4540 
   C  36    7.0340     6.7585     0.5375     6.6334     6.2832     1.9380 
   C  37    2.0008     1.4390     5.8126     1.8895     0.9334     6.0920 
   C  38    6.4632     6.6289     1.8256     5.9711     6.0921     0.9333 
   C  39    8.2200     8.3296     1.8329     7.7294     7.8015     0.8250 
   C  40    1.3546     0.5468     7.7001     1.7970     0.9541     7.9268 
   C  41    0.5468     1.9359     7.9567     0.9584     1.8965     7.8628 
   C  42    8.2581     8.0659     0.8340     7.8292     7.5796     1.7498 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    6.0920     0.0000 
   C  33    1.4284     5.3631     0.0000 
   C  34    5.5163     1.8795     5.2311     0.0000 
   C  35    5.9795     1.5873     5.6134     0.5355     0.0000 
   C  36    1.6009     5.8126     0.5303     5.7488     6.1223     0.0000 
   C  37    5.5723     0.5375     4.8877     1.5832     1.4385     5.3505 
   C  38    0.5375     5.7273     1.6007     5.0462     5.5221     1.9117 
   C  39    1.3206     7.4104     2.4169     6.8045     7.2784     2.3080 
   C  40    7.4168     1.4448     6.7752     2.3785     1.8591     7.2367 
   C  41    7.3985     2.3906     7.0512     1.8834     1.4393     7.5582 
   C  42    1.8006     7.1207     1.7586     6.9237     7.3309     1.3342 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    5.1993     0.0000 
   C  39    6.8920     1.7583     0.0000 
   C  40    1.8875     7.0165     8.7371     0.0000 
   C  41    2.5399     6.9296     8.6879     1.5787     0.0000 
   C  42    6.6462     2.3210     1.5757     8.5337     8.7702     0.0000 




ATOMIC CHARGES
  Rh   1    0.0000000000
  Rh   2    0.0000000000
   C   3    0.0000000000
   C   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   O   7    0.0000000000
   O   8    0.0000000000
   O   9    0.0000000000
   O  10    0.0000000000
   O  11    0.0000000000
   O  12    0.0000000000
   O  13    0.0000000000
   O  14    0.0000000000
   C  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000
   C  19    0.0000000000
   C  20    0.0000000000
   C  21    0.0000000000
   C  22    0.0000000000
   C  23    0.0000000000
   C  24    0.0000000000
   C  25    0.0000000000
   C  26    0.0000000000
   C  27    0.0000000000
   C  28    0.0000000000
   C  29    0.0000000000
   C  30    0.0000000000
   C  31    0.0000000000
   C  32    0.0000000000
   C  33    0.0000000000
   C  34    0.0000000000
   C  35    0.0000000000
   C  36    0.0000000000
   C  37    0.0000000000
   C  38    0.0000000000
   C  39    0.0000000000
   C  40    0.0000000000
   C  41    0.0000000000
   C  42    0.0000000000


BOND ANGLES
   7    1    8   O3   Rh   O3    112.647
   9    2   10   O3   Rh   O3    117.477
   7    3   12   O3   C2   O2    119.961
   7    3   16   O3   C2   C3    120.303
  12    3   16   O2   C2   C3    119.737
  10    4   13   O3   C2   O2    119.746
  10    4   15   O3   C2   C3    120.508
  13    4   15   O2   C2   C3    119.746
   8    5   11   O3   C2   O2    119.526
   8    5   18   O3   C2   C3    120.278
  11    5   18   O2   C2   C3    120.197
   9    6   14   O3   C2   O2    119.142
   9    6   17   O3   C2   C3    121.502
  14    6   17   O2   C2   C3    119.356
   1    7    3   Rh   O3   C2    119.421
   1    8    5   Rh   O3   C2    113.740
   2    9    6   Rh   O3   C2    124.028
   2   10    4   Rh   O3   C2    114.561
   4   15   22   C2   C3   C3    120.284
   3   16   20   C2   C3   C3    120.526
   6   17   21   C2   C3   C3    120.841
   5   18   19   C2   C3   C3    120.057
  18   19   33   C3   C3   C3    120.941
  16   20   37   C3   C3   C3    120.521
  17   21   34   C3   C3   C3    121.271
  15   22   38   C3   C3   C3    120.499
  27   23   42   C3   C3   C3    104.101
  30   24   39   C3   C3   C3    105.473
  28   25   41   C3   C3   C3    120.294
  29   26   40   C3   C3   C3    120.448
  23   27   36   C3   C3   C3    114.557
  25   28   35   C3   C3   C3    120.188
  26   29   32   C3   C3   C3    120.408
  24   30   31   C3   C3   C3    115.588
  30   31   38   C3   C3   C3    120.502
  29   32   37   C3   C3   C3    120.526
  19   33   36   C3   C3   C3    120.490
  21   34   35   C3   C3   C3    121.718
  28   35   34   C3   C3   C3    120.841
  27   36   33   C3   C3   C3    120.057
  20   37   32   C3   C3   C3    120.521
  22   38   31   C3   C3   C3    120.723


TORSION ANGLES
  12    3    7    1      0.026
  16    3    7    1    179.974
  13    4   10    2      0.026
  15    4   10    2    179.974
  11    5    8    1      0.026
  18    5    8    1    179.974
  14    6    9    2      0.026
  17    6    9    2    179.974
   3    7    1    8    179.974
   5    8    1    7    179.974
   6    9    2   10    179.974
   4   10    2    9    179.974
  22   15    4   10    179.974
  22   15    4   13      0.026
  20   16    3    7    179.974
  20   16    3   12      0.026
  21   17    6    9    179.974
  21   17    6   14      0.026
  19   18    5    8    179.974
  19   18    5   11      0.026
  33   19   18    5    179.974
  37   20   16    3    179.974
  34   21   17    6    179.974
  38   22   15    4    179.974
  42   23   27   36    179.974
  39   24   30   31    179.974
  41   25   28   35    179.974
  40   26   29   32    179.974
  23   27   36   33    179.974
  25   28   35   34    179.974
  26   29   32   37    179.974
  24   30   31   38    179.974
  30   31   38   22    179.974
  29   32   37   20    179.974
  36   33   19   18    179.974
  35   34   21   17    179.974
  28   35   34   21    179.974
  27   36   33   19    179.974
  32   37   20   16    179.974
  31   38   22   15    179.974