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Dichloro(p-cymene)ruthenium(II) dimer
Dichloro(p-cymene)ruthenium(II) dimer 
ID: BP-12158
CAS:52462-29-0
Supplier:BroadPharm

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SMILES:[Ru](Cl)Cl.[Ru](Cl)Cl.c1(ccc(cc1)C)C(C)C.c1(ccc(cc1)C)C(C)C	
FORMULA: C20H28Cl4Ru2
MASS: 612.3883
EXACT MASS: 611.9032096
INTERATOMIC DISTANCES

             Ru   1     Ru   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Ru   1    0.0000 
  Ru   2    2.9909     0.0000 
   C   3    5.6065     5.7284     0.0000 
   C   4    5.7284     7.2171     2.9910     0.0000 
   C   5    5.5215     5.0000     1.2507     4.1688     0.0000 
   C   6    5.4493     7.4143     4.0638     1.2507     5.1491     0.0000 
   C   7    4.7232     5.4493     1.2508     2.1225     2.1667     2.9909 
   C   8    5.0000     6.1158     1.9080     1.2508     2.9909     2.1667 
  Cl   9    1.2500     3.3723     4.4494     4.5071     4.5182     4.3309 
  Cl  10    1.2508     4.0638     6.6095     6.2500     6.6563     5.7284 
  Cl  11    3.1054     1.2500     4.5071     6.2227     3.7500     6.5703 
  Cl  12    2.1225     1.2507     6.2500     7.2340     5.7284     7.2171 
   C  13    6.7966     6.9598     1.2500     3.1055     2.1654     4.3330 
   C  14    6.9598     8.2811     3.3724     1.2500     4.6226     2.1654 
   C  15    3.7500     5.0598     2.4292     2.1655     3.1054     2.5014 
   C  16    4.3309     6.5703     4.3330     2.1654     5.2165     1.2500 
   C  17    4.5182     3.7500     2.1654     4.6226     1.2500     5.3796 
   C  18    3.4979     4.3309     2.1655     2.9146     2.5014     3.3723 
   C  19    3.3596     3.3074     2.5000     4.1140     2.1654     4.6226 
   C  20    3.3075     5.3369     3.6697     2.5000     4.3330     2.1654 
   C  21    7.1992     7.8067     2.1655     2.4292     3.3083     3.6696 
   C  22    7.5000     8.3894     2.9146     2.1655     4.1139     3.3083 
   C  23    7.8067     9.3782     4.6226     2.1654     5.8730     2.5000 
   C  24    7.7465     7.5000     2.1654     4.3330     2.5000     5.5709 
   C  25    2.1655     4.6226     4.5183     3.7500     4.9153     3.3074 
   C  26    2.4292     2.1654     3.7500     5.0598     3.3074     5.3369 

              C   7      C   8     Cl   9     Cl  10     Cl  11     Cl  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8753     0.0000 
  Cl   9    3.4979     3.7500     0.0000 
  Cl  10    5.6065     5.7284     2.1655     0.0000 
  Cl  11    4.3309     5.0598     2.9909     4.3330     0.0000 
  Cl  12    5.7284     6.2620     2.9146     2.9910     2.1654     0.0000 
   C  13    2.1655     2.4292     5.6065     7.7465     5.7284     7.5000 
   C  14    2.9146     2.1655     5.7284     7.5000     7.2171     8.3894 
   C  15    1.2100     1.2500     2.5000     4.5071     4.1139     5.0842 
   C  16    3.1054     2.5014     3.3083     4.5071     5.8730     6.2227 
   C  17    2.5014     3.3723     3.6696     5.7159     2.5000     4.5071 
   C  18    1.2500     1.7869     2.2994     4.4494     3.3083     4.5071 
   C  19    2.1655     2.9146     2.4292     4.5183     2.1654     3.7500 
   C  20    2.4292     2.1655     2.1655     3.7500     4.6226     5.0598 
   C  21    2.5000     2.2994     5.9587     8.0049     6.6149     8.1969 
   C  22    2.9572     2.5000     6.2500     8.1969     7.2340     8.6785 
   C  23    4.1139     3.3083     6.6149     8.1969     8.3605     9.3910 
   C  24    3.3083     3.6696     6.6095     8.7723     6.2500     8.1969 
   C  25    3.3596     3.3075     1.2508     2.5000     4.1688     4.1140 
   C  26    3.3075     3.9508     1.9080     3.6697     1.2507     2.5000 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.9910     0.0000 
   C  15    3.3596     3.3075     0.0000 
   C  16    4.9153     3.3074     2.1667     0.0000 
   C  17    3.3074     5.3369     2.9909     5.1491     0.0000 
   C  18    3.3075     3.9508     0.8753     2.9909     2.1667     0.0000 
   C  19    3.7500     5.0598     2.1225     4.1688     1.2507     1.2508 
   C  20    4.5183     3.7500     1.2508     1.2507     4.0638     1.9080 
   C  21    1.2508     1.9080     3.4979     4.5182     4.3309     3.7500 
   C  22    2.1225     1.2508     3.7500     4.3309     5.0598     4.1740 
   C  23    4.1688     1.2507     4.3309     3.7500     6.5703     5.0598 
   C  24    1.2507     4.0638     4.5182     6.1630     3.7500     4.3309 
   C  25    5.5216     5.0000     2.1655     2.1654     4.3330     2.4292 
   C  26    5.0000     6.1159     2.9146     4.6226     2.1654     2.1655 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    2.9910     0.0000 
   C  21    4.5071     4.4494     0.0000 
   C  22    5.0842     4.5071     0.8753     0.0000 
   C  23    6.2227     4.5071     2.9909     2.1667     0.0000 
   C  24    4.5071     5.7159     2.1667     2.9909     5.1491     0.0000 
   C  25    3.1055     1.2500     5.6065     5.7284     5.7284     6.6563 
   C  26    1.2500     3.3724     5.7284     6.2620     7.2171     5.7284 

              C  25      C  26
              ----------------------
   C  25    0.0000 
   C  26    2.9910     0.0000 



ATOMIC CHARGES
  Ru   1    0.0000000000
  Ru   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
  Cl   9    0.0000000000
  Cl  10    0.0000000000
  Cl  11    0.0000000000
  Cl  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
   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


BOND ANGLES
   9    1   10   Cl   Ru   Cl    119.980
  11    2   12   Cl   Ru   Cl    119.982
   5    3    7  Car  Car  Car    120.037
   5    3   13  Car  Car   C3    119.982
   7    3   13  Car  Car   C3    119.980
   6    4    8  Car  Car  Car    120.037
   6    4   14  Car  Car   C3    119.982
   8    4   14  Car  Car   C3    119.980
   3    5   17  Car  Car  Car    119.982
   4    6   16  Car  Car  Car    119.982
   3    7   18  Car  Car  Car    119.980
   4    8   15  Car  Car  Car    119.980
   3   13   21  Car   C3   C3    119.980
   3   13   24  Car   C3   C3    119.982
  21   13   24   C3   C3   C3    120.037
   4   14   22  Car   C3   C3    119.980
   4   14   23  Car   C3   C3    119.982
  22   14   23   C3   C3   C3    120.037
   8   15   20  Car  Car  Car    119.980
   6   16   20  Car  Car  Car    119.982
   5   17   19  Car  Car  Car    119.982
   7   18   19  Car  Car  Car    119.980
  18   19   26  Car  Car   C3    119.980
  17   19   18  Car  Car  Car    120.037
  17   19   26  Car  Car   C3    119.982
  16   20   25  Car  Car   C3    119.982
  15   20   16  Car  Car  Car    120.037
  15   20   25  Car  Car   C3    119.980


TORSION ANGLES
  17    5    3    7      0.026
  17    5    3   13    179.974
  16    6    4    8      0.026
  16    6    4   14    179.974
  18    7    3    5      0.026
  18    7    3   13    179.974
  15    8    4    6      0.026
  15    8    4   14    179.974
  21   13    3    5    179.974
  21   13    3    7      0.026
  24   13    3    5      0.026
  24   13    3    7    179.974
  22   14    4    6    179.974
  22   14    4    8      0.026
  23   14    4    6      0.026
  23   14    4    8    179.974
  20   15    8    4      0.026
  20   16    6    4      0.026
  19   17    5    3      0.026
  19   18    7    3      0.026
  26   19   18    7    179.974
  17   19   18    7      0.026
  25   20   16    6    179.974
  15   20   16    6      0.026
   5   17   19   18      0.026
   5   17   19   26    179.974
   8   15   20   16      0.026
   8   15   20   25    179.974