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Bis(norbornadiene)rhodium(I) tetrafluoroborate
Bis(norbornadiene)rhodium(I) tetrafluoroborate
ID: BP-12226
CAS:36620-11-8
Supplier:BroadPharm

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SMILES:[B-](F)(F)(F)F.C1=C[C@H]2C=C[C@@H]1C2.C1=C[C@H]2C=C[C@@H]1C2.[Rh+]	
FORMULA: C14H16BF4Rh
MASS: 373.9870
EXACT MASS: 374.0336228
INTERATOMIC DISTANCES

              B   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   B   1    0.0000 
   C   2    6.4280     0.0000 
   C   3    6.0822     0.6056     0.0000 
   C   4    3.8032     2.6755     2.4450     0.0000 
   C   5    3.3505     3.0845     2.7363     0.6993     0.0000 
   C   6    3.4430     3.7665     3.2401     2.1623     1.5138     0.0000 
   C   7    3.3510     4.3339     3.7898     2.7353     2.0617     0.6069 
   C   8    6.0772     2.2810     1.7152     3.1828     3.0784     2.7010 
   C   9    5.8626     2.9602     2.3730     3.4059     3.1528     2.4206 
   C  10    4.9017     1.5674     1.4152     1.1129     1.6119     2.6881 
   C  11    5.3285     1.4038     1.5025     1.5383     2.1404     3.2972 
   C  12    4.7610     4.0070     3.4044     3.3595     2.8373     1.5017 
   C  13    4.8150     3.4173     2.8153     2.9264     2.4805     1.3903 
   F  14    1.2432     6.4285     5.9909     4.0112     3.4059     2.9392 
   F  15    1.2536     5.9763     5.7343     3.3046     3.0654     3.7014 
   F  16    1.1625     5.2855     4.9253     2.7020     2.2015     2.3707 
   F  17    1.1875     7.6014     7.2658     4.9571     4.5313     4.5839 
   C  18    5.6856     4.9527     4.3500     4.6089     4.0889     2.6982 
   C  19    5.5702     2.3863     2.6686     2.1566     2.8556     4.2516 
  Rh  20    4.9049     2.0773     1.5078     1.8887     1.7669     1.7644 
   H  21    6.3652     1.5456     2.0122     2.6492     3.2906     4.4567 
   H  22    5.0918     2.4373     1.8358     2.3956     2.1671     1.7429 
   H  23    4.6516     4.8642     4.2635     3.9713     3.3695     1.8764 
   H  24    4.1225     2.3603     1.9619     0.8639     0.7974     1.6272 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.0565     0.0000 
   C   9    2.6517     0.7203     0.0000 
   C  10    3.2947     2.5903     3.0237     0.0000 
   C  11    3.9040     2.9768     3.4891     0.6115     0.0000 
   C  12    1.4100     2.1133     1.5012     3.4730     4.0575     0.0000 
   C  13    1.5434     1.6125     1.1125     2.9279     3.5004     0.5902 
   F  14    2.6449     5.6376     5.2911     5.0171     5.5351     3.9990 
   F  15    3.8132     6.0828     6.0152     4.4090     4.7227     5.1696 
   F  16    2.3981     4.9417     4.7686     3.7797     4.2396     3.7843 
   F  17    4.4290     7.2459     7.0029     6.0637     6.4673     5.8295 
   C  18    2.4416     2.7729     2.0526     4.6472     5.2087     1.2531 
   C  19    4.8476     4.2217     4.7328     1.7500     1.2471     5.2055 
  Rh  20    2.2897     1.3180     1.5411     1.5419     2.0824     2.0150 
   H  21    5.0629     3.7146     4.3325     1.7700     1.1689     5.1126 
   H  22    2.1625     0.9857     1.0104     2.1000     2.6257     1.5701 
   H  23    1.4888     2.9525     2.2969     4.2358     4.8348     0.8651 
   H  24    2.2340     2.3583     2.5435     1.0653     1.6713     2.5840 

              C  13      F  14      F  15      F  16      F  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   F  14    4.1873     0.0000 
   F  15    5.0798     2.4003     0.0000 
   F  16    3.7604     1.4634     1.4422     0.0000 
   F  17    5.9340     1.9307     1.9602     2.3500     0.0000 
   C  18    1.7250     4.7472     6.2519     4.8253     6.6600     0.0000 
   C  19    4.6721     6.0309     4.7159     4.6137     6.6158     6.3945 
  Rh  20    1.4367     4.6300     4.8037     3.7478     6.0890     3.1279 
   H  21    4.5358     6.6601     5.6360     5.3193     7.4692     6.2024 
   H  22    0.9801     4.6810     5.1169     3.9564     6.2619     2.6043 
   H  23    1.4492     3.7113     5.2601     3.8235     5.6212     1.0390 
   H  24    2.1057     4.0691     3.8594     2.9640     5.3078     3.8169 

              C  19     Rh  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   C  19    0.0000 
  Rh  20    3.2896     0.0000 
   H  21    1.1187     3.0992     0.0000 
   H  22    3.8443     0.5614     3.5988     0.0000 
   H  23    5.9374     2.8417     5.9222     2.4276     0.0000 
   H  24    2.6700     1.0443     2.8352     1.5330     3.2737     0.0000 




ATOMIC CHARGES
   B   1    0.0000000000
   C   2    0.0000000000
   C   3    0.0000000000
   C   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   F  14    0.0000000000
   F  15    0.0000000000
   F  16    0.0000000000
   F  17    0.0000000000
   C  18    0.0000000000
   C  19    0.0000000000
  Rh  20    0.0000000000
   H  21    0.0000000000
   H  22    0.0000000000
   H  23    0.0000000000
   H  24    0.0000000000


BOND ANGLES
  14    1   15    F   B3    F    148.037
  14    1   16    F   B3    F     74.846
  14    1   17    F   B3    F    105.154
  15    1   16    F   B3    F     73.191
  15    1   17    F   B3    F    106.809
  16    1   17    F   B3    F    179.974
   3    2   11   C2   C2   C3     87.299
   2    3   10   C2   C2   C3     92.913
   5    4   11   C2   C2   C3    143.338
   4    5   10   C2   C2   C3     34.912
   7    6   13   C2   C2   C3     92.744
   6    7   12   C2   C2   C3     86.606
   9    8   13   C2   C2   C3     35.920
   8    9   12   C2   C2   C3    141.547
   3   10    5   C2   C3   C2    129.239
   5   10   24   C2   C3   HC     25.595
   5   10   19   C2   C3   C3    116.233
   3   10   24   C2   C3   HC    103.645
   3   10   19   C2   C3   C3    114.528
  19   10   24   C3   C3   HC    141.827
   2   11    4   C2   C3   C2    130.778
   4   11   19   C2   C3   C3    100.960
   4   11   21   C2   C3   HC    156.014
   2   11   19   C2   C3   C3    128.262
   2   11   21   C2   C3   HC     73.208
  19   11   21   C3   C3   HC     55.054
   7   12    9   C2   C3   C2    131.222
   9   12   23   C2   C3   HC    151.085
   9   12   18   C2   C3   C3     95.941
   7   12   23   C2   C3   HC     77.693
   7   12   18   C2   C3   C3    132.837
  18   12   23   C3   C3   HC     55.144
   6   13    8   C2   C3   C2    128.038
   8   13   18   C2   C3   C3    112.325
   8   13   22   C2   C3   HC     35.002
   6   13   18   C2   C3   C3    119.637
   6   13   22   C2   C3   HC     93.036
  18   13   22   C3   C3   HC    147.327
  12   18   13   C3   C3   C3     13.851
  10   19   11   C3   C3   C3     13.523


TORSION ANGLES
  10    3    2   11      0.026
   5    4   11    2      0.026
   5    4   11   19    179.974
   5    4   11   21    179.974
   4    5   10    3    179.974
   4    5   10   24    179.974
   4    5   10   19      0.026
  12    7    6   13      0.026
   9    8   13    6    179.974
   9    8   13   18      0.026
   9    8   13   22    179.974
   8    9   12    7      0.026
   8    9   12   23    179.974
   8    9   12   18    179.974
   5   10    3    2    179.974
  24   10    3    2    179.974
  19   10    3    2      0.026
   4   11    2    3      0.026
  19   11    2    3    179.974
  21   11    2    3    179.974
   9   12    7    6      0.026
  23   12    7    6    179.974
  18   12    7    6    179.974
   8   13    6    7    179.974
  18   13    6    7      0.026
  22   13    6    7    179.974
  12   18   13    8    179.974
  12   18   13    6      0.026
  12   18   13   22    179.974
  10   19   11    4      0.026
  10   19   11    2    179.974
  10   19   11   21    179.974
  11   19   10    5    179.974
  11   19   10    3      0.026
  11   19   10   24    179.974
  11    4    5   10      0.026
  13   18   12    9      0.026
  13   18   12    7    179.974
  13   18   12   23    179.974
  13    8    9   12      0.026


CHIRAL ATOMS
  13    8    9   12      0.026
  13    8    9   12      0.026
  13    8    9   12      0.026
  13    8    9   12      0.026