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Copper citrate
Copper citrate ID: API-42643
CAS:866-82-0
Supplier:APIchem

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SMILES:[Cu+2].[Cu+2].OC(CC(=O)O)(CC(=O)O)C(=O)O	ChemMol.com
FORMULA: C6H8Cu2O7++++
MASS: 319.2155
EXACT MASS: 317.8861976
TOTAL CHARGE: 4
INTERATOMIC DISTANCES

             Cu   1     Cu   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
  Cu   1    0.0000 
  Cu   2    5.4997     0.0000 
   O   3    5.2926     3.7106     0.0000 
   O   4    6.6429     4.9171     1.5059     0.0000 
   O   5    6.3217     6.1029     2.3941     1.7320     0.0000 
   O   6    4.1547     6.4730     3.6055     4.1143     2.8754     0.0000 
   O   7    3.1025     2.9063     2.5036     4.0000     4.3589     3.7416 
   O   8    3.0874     4.8283     2.6457     3.7320     3.2348     1.7320 
   O   9    4.8110     2.5125     1.2393     2.6457     3.6055     4.2341 
   C  10    4.9606     4.5069     1.0000     1.7320     1.7320     2.6457 
   C  11    3.9978     4.0472     1.4142     2.6457     2.6457     2.5036 
   C  12    4.8170     5.3718     2.0000     2.3941     1.5060     1.7320 
   C  13    5.9358     5.1230     1.4142     1.0000     1.0000     3.1196 
   C  14    3.9580     5.5097     2.6457     3.3460     2.4495     1.0000 
   C  15    3.9053     3.0626     1.5060     2.9999     3.4641     3.4252 
   H  16    5.4322     5.5880     1.9884     1.9705     0.8898     2.1828 
   H  17    5.0392     5.9873     2.5913     2.7667     1.4739     1.4155 
   H  18    3.9648     4.6568     1.8413     2.8113     2.4059     1.8896 
   H  19    3.3785     4.0810     1.9934     3.2656     3.1512     2.3975 
   H  20    4.9591     3.1281     0.6201     2.0847     2.9807     3.8242 
   H  21    7.2347     5.4297     2.1242     0.6201     1.8397     4.4996 
   H  22    4.7634     6.9205     3.8242     4.1059     2.6692     0.6201 
   H  23    2.5210     3.4601     2.8890     4.3433     4.4726     3.4326 

              O   7      O   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    2.0179     0.0000 
   O   9    1.7321     2.8284     0.0000 
   C  10    2.6458     2.0000     2.0000     0.0000 
   C  11    1.7321     1.2393     1.7320     1.0000     0.0000 
   C  12    3.1196     1.7320     2.9093     1.0000     1.4142     0.0000 
   C  13    3.6056     2.9093     2.6457     1.0000     2.0000     1.4142 
   C  14    2.8754     1.0000     3.2348     1.7320     1.5060     1.0000 
   C  15    1.0001     1.8804     1.0000     1.7320     1.0000     2.3941 
   H  16    3.5732     2.3451     3.0792     1.0813     1.8413     0.6200 
   H  17    3.6539     2.0295     3.5293     1.5968     1.9934     0.6200 
   H  18    2.1829     0.9256     2.3451     1.0813     0.6200     0.9736 
   H  19    1.4155     0.8020     2.0295     1.5968     0.6200     1.7679 
   H  20    2.0127     2.6009     0.6265     1.4158     1.3894     2.3716 
   H  21    4.6201     4.2802     3.2380     2.2901     3.2380     2.8243 
   H  22    4.2692     2.2901     4.5913     2.8292     2.8890     1.8397 
   H  23    0.6200     1.7113     2.2901     2.8292     1.8397     3.1085 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.3941     0.0000 
   C  15    2.6457     2.4495     0.0000 
   H  16    0.9736     1.5967     2.7471     0.0000 
   H  17    1.7679     1.0812     2.9878     0.7971     0.0000 
   H  18    1.9884     0.8898     1.5967     1.5291     1.4712     0.0000 
   H  19    2.5913     1.4739     1.0812     2.2963     2.2582     0.7971 
   H  20    2.0195     2.8292     1.0604     2.4834     2.9880     1.9532 
   H  21    1.4158     3.8098     3.6200     2.3174     3.1042     3.3548 
   H  22    3.1085     1.4158     3.8580     2.1355     1.3414     2.2704 
   H  23    3.8242     2.6692     1.4158     3.6321     3.5759     2.1355 

              H  19      H  20      H  21      H  22      H  23
              -------------------------------------------------------
   H  19    0.0000 
   H  20    1.8466     0.0000 
   H  21    3.8564     2.6938     0.0000 
   H  22    2.8846     4.1253     4.4172     0.0000 
   H  23    1.3414     2.4757     4.9592     4.0011     0.0000 



ATOMIC CHARGES
  Cu   1    0.0000000000
  Cu   2    0.0000000000
   O   3    0.0000000000
   O   4    0.0000000000
   O   5    0.0000000000
   O   6    0.0000000000
   O   7    0.0000000000
   O   8    0.0000000000
   O   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
   H  16    0.0000000000
   H  17    0.0000000000
   H  18    0.0000000000
   H  19    0.0000000000
   H  20    0.0000000000
   H  21    0.0000000000
   H  22    0.0000000000
   H  23    0.0000000000


BOND ANGLES
  10    3   20   C3   O3   HO    120.002
  13    4   21   C2   O3   HO    120.002
  14    6   22   C2   O3   HO    120.002
  15    7   23   C2   O3   HO    120.000
   3   10   11   O3   C3   C3     90.000
   3   10   12   O3   C3   C3    179.974
   3   10   13   O3   C3   C2     90.000
  11   10   12   C3   C3   C3     90.000
  11   10   13   C3   C3   C2    179.974
  12   10   13   C3   C3   C2     90.000
  10   11   15   C3   C3   C2    120.001
  10   11   18   C3   C3   HC     80.004
  10   11   19   C3   C3   HC    160.002
  15   11   18   C2   C3   HC    159.996
  15   11   19   C2   C3   HC     79.997
  18   11   19   HC   C3   HC     79.999
  10   12   14   C3   C3   C2    120.001
  10   12   16   C3   C3   HC     80.004
  10   12   17   C3   C3   HC    160.002
  14   12   16   C2   C3   HC    159.996
  14   12   17   C2   C3   HC     79.997
  16   12   17   HC   C3   HC     79.999
   4   13    5   O3   C2   O2    120.001
   4   13   10   O3   C2   C3    119.999
   5   13   10   O2   C2   C3    120.001
   6   14    8   O3   C2   O2    119.999
   6   14   12   O3   C2   C3    120.001
   8   14   12   O2   C2   C3    120.001
   7   15    9   O3   C2   O2    120.001
   7   15   11   O3   C2   C3    119.998
   9   15   11   O2   C2   C3    120.001


TORSION ANGLES
  20    3   10   11      0.026
  20    3   10   12      0.026
  20    3   10   13    179.974
  21    4   13    5      0.026
  21    4   13   10    179.974
  22    6   14    8    179.974
  22    6   14   12      0.026
  23    7   15    9    179.974
  23    7   15   11      0.026
   3   10   11   15      0.026
   3   10   11   18    179.974
   3   10   11   19    179.974
  12   10   11   15    179.974
  12   10   11   18      0.026
  12   10   11   19      0.026
  13   10   11   15    179.974
  13   10   11   18      0.026
  13   10   11   19      0.026
   3   10   12   14      0.026
   3   10   12   16    179.974
   3   10   12   17    179.974
  11   10   12   14      0.026
  11   10   12   16    179.974
  11   10   12   17    179.974
  13   10   12   14    179.974
  13   10   12   16      0.026
  13   10   12   17      0.026
   3   10   13    4      0.026
   3   10   13    5    179.974
  11   10   13    4    179.974
  11   10   13    5      0.026
  12   10   13    4    179.974
  12   10   13    5      0.026
  10   11   15    7    179.974
  10   11   15    9      0.026
  18   11   15    7      0.026
  18   11   15    9    179.974
  19   11   15    7      0.026
  19   11   15    9    179.974
  10   12   14    6    179.974
  10   12   14    8      0.026
  16   12   14    6      0.026
  16   12   14    8    179.974
  17   12   14    6      0.026
  17   12   14    8    179.974