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(-)-1,1'-Bis((2S,4S)-2,4-diethylphosphotano)ferrocene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
(-)-1,1'-Bis((2S,4S)-2,4-diethylphosphotano)ferrocene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
ID: BP-12199
Supplier:BroadPharm

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SMILES:[B-](F)(F)(F)F.P1([C]2[CH][CH][CH][CH]2)[C@H](C[C@@H]1CC)CC.P1([C]2[CH][CH][CH][CH]2)[C@H](C[C@@H]1CC)CC.C1CC=CCCC=C1.[Fe].[Rh+]	
FORMULA: C32H48BF4FeP2Rh
MASS: 740.2262
EXACT MASS: 740.1664846
TOTAL SPIN: 11
INTERATOMIC DISTANCES

              B   1      F   2      F   3      F   4      F   5      P   6
              ------------------------------------------------------------------
   B   1    0.0000 
   F   2    0.8266     0.0000 
   F   3    0.8119     1.1586     0.0000 
   F   4    0.8123     1.1379     1.6239     0.0000 
   F   5    0.7973     1.6239     1.1379     1.1586     0.0000 
   P   6    4.2840     4.6072     5.0625     3.5321     4.1083     0.0000 
   C   7    3.5157     3.9014     4.2793     2.7937     3.3010     0.8146 
   C   8    4.7684     4.9518     5.5736     3.9712     4.7238     0.9241 
   C   9    5.0479     5.4152     5.8075     4.3206     4.8032     0.8379 
   C  10    2.8134     3.2671     3.5585     2.1355     2.5593     1.5579 
   C  11    2.7786     3.0027     3.5849     1.9827     2.7868     1.6289 
   C  12    5.4650     5.7113     6.2581     4.6864     5.3391     1.2474 
   C  13    4.9086     4.9429     5.7199     4.0964     5.0066     1.7440 
   C  14    5.6583     6.0971     6.3832     4.9767     5.3234     1.6464 
   C  15    2.1019     2.5087     2.8780     1.3837     1.9759     2.1849 
   C  16    1.8287     2.0002     2.6406     1.0170     2.0016     2.6153 
   C  17    4.3914     4.3214     5.1924     3.5893     4.6010     2.1209 
   C  18    6.4860     6.8935     7.2224     5.7849     6.1731     2.3333 
   P  19    4.2077     4.9888     4.5604     4.0202     3.4743     3.6656 
   C  20    3.5006     4.2571     3.9292     3.2517     2.8087     3.1039 
   C  21    4.9912     5.7514     5.3840     4.7352     4.2814     3.7601 
   C  22    4.6457     5.4596     4.8653     4.5914     3.8658     4.5483 
   C  23    2.7090     3.5160     3.0143     2.6580     1.9466     3.6446 
   C  24    2.8307     3.5692     3.3150     2.5496     2.1795     2.8754 
   C  25    5.3656     6.1642     5.6446     5.2288     4.6048     4.6248 
   C  26    5.6094     6.3322     6.0680     5.2643     4.9433     3.6783 
   C  27    4.6840     5.5106     4.7598     4.7767     3.8867     5.2542 
   C  28    1.7920     2.6159     2.0391     1.9205     1.0018     3.9244 
   C  29    2.1213     2.8918     2.5715     1.9542     1.4384     3.2352 
   C  30    6.4641     7.1971     6.8966     6.1365     5.7812     4.4166 
   C  31    4.1872     5.0089     4.1687     4.3875     3.3970     5.3819 
   C  32    7.4857     8.1500     8.0151     7.0353     6.8785     4.5808 
   C  33    6.6722     7.3453     7.1953     6.2365     6.0591     3.9699 
   C  34    8.0090     8.6287     8.5869     7.4978     7.4497     4.7186 
   C  35    6.0247     6.6562     6.6020     5.5306     5.4652     3.1065 
   C  36    8.0208     8.5829     8.6525     7.4451     7.5251     4.3923 
   C  37    6.0403     6.5968     6.6870     5.4590     5.5676     2.5839 
   C  38    7.5855     8.0958     8.2585     6.9612     7.1497     3.7384 
   C  39    6.7281     7.2293     7.4111     6.0956     6.3101     2.8925 
  Fe  40    2.1006     2.7328     2.7502     1.6326     1.6616     2.5423 
  Rh  41    4.2937     4.8998     4.9144     3.7702     3.7892     1.8943 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.6009     0.0000 
   C   9    1.5323     1.2474     0.0000 
   C  10    0.7444     2.2816     2.2519     0.0000 
   C  11    1.0732     1.9900     2.4605     0.9157     0.0000 
   C  12    2.0609     0.8379     0.9241     2.8017     2.7131     0.0000 
   C  13    2.2438     0.8934     2.1337     2.8000     2.2272     1.5196 
   C  14    2.2028     2.0561     0.8485     2.8486     3.2193     1.4956 
   C  15    1.4168     2.7481     2.9486     0.7620     0.8548     3.3872 
   C  16    1.9559     2.9723     3.4352     1.4463     1.0027     3.7142 
   C  17    2.3523     1.5017     2.7164     2.7209     1.9456     2.2662 
   C  18    2.9929     2.4713     1.4967     3.6727     3.9568     1.7038 
   P  19    3.1530     4.5897     3.7625     2.8644     3.7764     4.6674 
   C  20    2.4938     4.0176     3.3497     2.1137     3.0150     4.2104 
   C  21    3.4115     4.6656     3.6656     3.2974     4.2066     4.5897 
   C  22    4.0241     5.4724     4.6267     3.6901     4.5912     5.5378 
   C  23    2.9016     4.5013     4.0655     2.3005     3.0703     4.8484 
   C  24    2.1527     3.7455     3.2892     1.6147     2.4630     4.0719 
   C  25    4.2297     5.5362     4.5483     4.0354     4.9511     5.4724 
   C  26    3.5095     4.5286     3.3995     3.5714     4.4387     4.3053 
   C  27    4.6624     6.1743     5.4030     4.2335     5.0990     6.3014 
   C  28    3.1180     4.6806     4.4970     2.3999     2.9389     5.1701 
   C  29    2.4412     4.0283     3.7770     1.7550     2.4220     4.4752 
   C  30    4.3279     5.2202     4.0298     4.4339     5.2881     4.8972 
   C  31    4.7132     6.2833     5.6401     4.1879     4.9937     6.5058 
   C  32    4.7588     5.2047     3.9579     5.0813     5.8153     4.6658 
   C  33    4.0570     4.6760     3.4374     4.3236     5.0942     4.2334 
   C  34    5.0315     5.2158     3.9977     5.4543     6.1044     4.5739 
   C  35    3.2206     3.8196     2.5873     3.5400     4.2721     3.4108 
   C  36    4.8248     4.7646     3.6066     5.3385     5.8903     4.0518 
   C  37    2.8870     3.1758     1.9289     3.3588     3.9601     2.6703 
   C  38    4.2523     4.0273     2.9225     4.8294     5.2967     3.2839 
   C  39    3.3844     3.2573     2.0948     3.9624     4.4326     2.5752 
  Fe  40    1.7294     3.2791     3.1736     0.9998     1.6186     3.7896 
  Rh  41    1.6464     2.7999     1.8767     1.8028     2.6113     2.7880 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.9165     0.0000 
   C  15    3.0742     3.5931     0.0000 
   C  16    3.0816     4.1564     0.7518     0.0000 
   C  17    0.8172     3.5481     2.7872     2.6076     0.0000 
   C  18    3.2233     0.8590     4.4031     4.9254     3.9568     0.0000 
   P  19    5.3622     3.6812     3.2459     3.9621     5.4949     4.4371 
   C  20    4.7347     3.4418     2.4516     3.1648     4.7971     4.2627 
   C  21    5.5023     3.3951     3.8074     4.5510     5.7534     4.0540 
   C  22    6.2420     4.4909     3.9934     4.6753     6.3563     5.2077 
   C  23    5.0957     4.3004     2.3079     2.8844     4.9943     5.1465 
   C  24    4.3753     3.5525     1.8089     2.4941     4.3355     4.4052 
   C  25    6.3627     4.2596     4.4619     5.1839     6.5810     4.8855 
   C  26    5.4055     2.9551     4.1874     4.9390     5.7694     3.4952 
   C  27    6.9035     5.3162     4.4119     5.0309     6.9465     6.0491 
   C  28    5.1303     4.8805     2.0878     2.4428     4.8742     5.7393 
   C  29    4.5412     4.1488     1.6154     2.1525     4.3656     5.0076 
   C  30    6.1097     3.4540     5.0613     5.8125     6.5313     3.8312 
   C  31    6.9492     5.6601     4.2351     4.7799     6.9034     6.4385 
   C  32    6.0842     3.1794     5.8002     6.5252     6.6594     3.2039 
   C  33    5.5679     2.7427     5.0264     5.7605     6.0819     2.9777 
   C  34    6.0614     3.1611     6.2008     6.8968     6.7091     2.9549 
   C  35    4.7125     1.9392     4.2667     4.9855     5.2184     2.3185 
   C  36    5.5672     2.7591     6.0992     6.7538     6.2661     2.3636 
   C  37    4.0571     1.1749     4.1176     4.7857     4.6351     1.4936 
   C  38    4.8034     2.0924     5.5902     6.2049     5.5240     1.5821 
   C  39    4.0773     1.2496     4.7227     5.3362     4.7589     0.9721 
  Fe  40    3.7496     3.6626     0.8382     1.4806     3.5611     4.5142 
  Rh  41    3.6377     1.8727     2.5091     3.2388     3.9293     2.6972 

              P  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   P  19    0.0000 
   C  20    0.7974     0.0000 
   C  21    0.8483     1.4943     0.0000 
   C  22    0.8827     1.5768     1.2242     0.0000 
   C  23    1.5474     1.0220     2.3813     1.9480     0.0000 
   C  24    1.4885     0.7032     2.1886     2.1860     0.7778     0.0000 
   C  25    1.2242     2.0208     0.8827     0.8483     2.6591     2.7116 
   C  26    1.6450     2.1394     0.8362     2.0264     3.1138     2.7792 
   C  27    1.6454     2.1689     2.0747     0.8538     2.1546     2.6361 
   C  28    2.5224     1.9311     3.3520     2.8658     0.9754     1.4140 
   C  29    2.0973     1.3810     2.8699     2.6385     0.7371     0.7448 
   C  30    2.3801     2.9727     1.5323     2.5169     3.9082     3.6342 
   C  31    2.0124     2.2955     2.6310     1.4393     1.9285     2.5784 
   C  32    3.6966     4.1264     2.8758     3.9873     5.1322     4.7003 
   C  33    2.9023     3.3071     2.1028     3.2646     4.3156     3.8804 
   C  34    4.4254     4.7725     3.6350     4.7888     5.7923     5.2911 
   C  35    2.6320     2.8400     1.9814     3.2055     3.8610     3.3162 
   C  36    4.7621     4.9866     4.0382     5.2428     6.0051     5.4238 
   C  37    3.1656     3.1866     2.6495     3.8510     4.1736     3.5239 
   C  38    4.6879     4.7827     4.0578     5.2820     5.7783     5.1316 
   C  39    4.0435     4.0434     3.5090     4.7194     5.0143     4.3366 
  Fe  40    2.4975     1.7019     3.1436     3.1948     1.4712     1.0162 
  Rh  41    1.8868     1.5693     1.8665     2.7506     2.4662     1.7629 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    1.4490     0.0000 
   C  27    1.5251     2.8591     0.0000 
   C  28    3.6175     4.0632     2.9040     0.0000 
   C  29    3.2863     3.5072     2.8916     0.7317     0.0000 
   C  30    1.7371     0.8763     3.2619     4.8737     4.3514     0.0000 
   C  31    2.2235     3.4544     0.7517     2.4688     2.6346     3.9445 
   C  32    3.2411     2.0517     4.7617     6.0557     5.4446     1.5113 
   C  33    2.5799     1.2672     4.0723     5.2356     4.6245     0.9737 
   C  34    4.0696     2.7991     5.5822     6.6817     6.0336     2.3541 
   C  35    2.6971     1.2494     4.0558     4.7183     4.0555     1.5286 
   C  36    4.5952     3.2165     6.0696     6.8362     6.1503     2.9560 
   C  37    3.4393     2.0180     4.7041     4.9347     4.2271     2.3522 
   C  38    4.7317     3.2909     6.1307     6.5410     5.8298     3.2446 
   C  39    4.2704     2.8277     5.5731     5.7361     5.0165     3.0059 
  Fe  40    3.7217     3.6350     3.5786     1.4016     0.8046     4.5090 
  Rh  41    2.7367     1.8635     3.5302     3.1624     2.4474     2.6870 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    5.4253     0.0000 
   C  33    4.7022     0.8207     0.0000 
   C  34    6.2279     0.8542     1.5324     0.0000 
   C  35    4.5923     1.5451     0.8637     1.9862     0.0000 
   C  36    6.6682     1.5681     2.0193     0.8276     2.1517     0.0000 
   C  37    5.1738     2.0290     1.5733     2.1517     0.8276     1.9862 
   C  38    6.6670     2.0907     2.2711     1.5442     2.0775     0.8094 
   C  39    6.0512     2.2375     2.0897     2.0051     1.5812     1.5136 
  Fe  40    3.3995     5.4175     4.6128     5.9139     3.9330     5.9226 
  Rh  41    3.8092     3.2912     2.5220     3.7289     1.7639     3.7381 

              C  37      C  38      C  39     Fe  40     Rh  41
              -------------------------------------------------------
   C  37    0.0000 
   C  38    1.6083     0.0000 
   C  39    0.8779     0.8689     0.0000 
  Fe  40    3.9460     5.5089     4.6609     0.0000 
  Rh  41    1.7832     3.3825     2.5748     2.1932     0.0000 



ATOMIC CHARGES
   B   1    0.0000000000
   F   2    0.0000000000
   F   3    0.0000000000
   F   4    0.0000000000
   F   5    0.0000000000
   P   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
   C  14    0.0000000000
   C  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000
   P  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
  Fe  40    0.0000000000
  Rh  41    0.0000000000


BOND ANGLES
   2    1    3    F   B3    F     89.991
   2    1    4    F   B3    F     87.939
   2    1    5    F   B3    F    179.974
   3    1    4    F   B3    F    177.930
   3    1    5    F   B3    F     89.996
   4    1    5    F   B3    F     92.075
   7    6    8   C3    P   C3    133.975
   7    6    9   C3    P   C3    136.025
   8    6    9   C3    P   C3     90.000
   6    7   10    P   C3   C3    175.754
   6    7   11    P   C3   C3    118.638
  10    7   11   C3   C3   C3     57.116
   6    8   12    P   C3   C3     90.000
   6    8   13    P   C3   C3    147.288
  12    8   13   C3   C3   C3    122.712
   6    9   12    P   C3   C3     90.000
  12    9   14   C3   C3   C3    115.007
   6    9   14    P   C3   C3    154.993
   7   10   15   C3   C3   C3    140.270
   7   11   16   C3   C3   C3    140.812
   8   12    9   C3   C3   C3     90.000
   8   13   17   C3   C3   C3    122.712
   9   14   18   C3   C3   C3    122.448
  10   15   16   C3   C3   C3    145.657
  11   16   15   C3   C3   C3     56.145
  20   19   21   C3    P   C3    130.438
  20   19   22   C3    P   C3    139.562
  21   19   22   C3    P   C3     90.000
  19   20   23    P   C3   C3    115.984
  19   20   24    P   C3   C3    165.454
  23   20   24   C3   C3   C3     49.470
  19   21   25    P   C3   C3     90.000
  19   21   26    P   C3   C3    155.121
  25   21   26   C3   C3   C3    114.879
  19   22   27    P   C3   C3    142.715
  19   22   25    P   C3   C3     90.000
  25   22   27   C3   C3   C3    127.285
  20   23   28   C3   C3   C3    150.384
  20   24   29   C3   C3   C3    144.983
  21   25   22   C3   C3   C3     90.000
  21   26   30   C3   C3   C3    126.941
  22   27   31   C3   C3   C3    127.285
  23   28   29   C3   C3   C3     48.628
  24   29   28   C3   C3   C3    146.534
  33   32   34   C3   C3   C2    132.381
  32   33   35   C3   C3   C2    133.062
  32   34   36   C3   C2   C2    137.619
  33   35   37   C3   C2   C2    136.938
  34   36   38   C2   C2   C3    141.224
  35   37   39   C2   C2   C3    135.951
  36   38   39   C2   C3   C3    128.776
  37   39   38   C2   C3   C3    134.049


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


CHIRAL ATOMS
  36   38   39   37      0.026
  36   38   39   37      0.026
  36   38   39   37      0.026
  36   38   39   37      0.026
  36   38   39   37      0.026
  36   38   39   37      0.026