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D-MPNN
Coordination Complexes
7058 complexes in database
7058
Total
4834
Ru
1295
Ir
339
Rh
337
Os
253
Re
Metal
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#1708
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]C(=S)Nc1c(Cl)cccc1Cl)c1ccccc1.[Cl-]
4 meas.
MOL
3D
#1707
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]C(=S)Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl.[Cl-]
4 meas.
MOL
3D
#1706
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]C(=S)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1ccc(Cl)cc1.[Cl-]
4 meas.
MOL
3D
#1705
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]C(=S)Nc1ccccc1)c1ccc(Cl)cc1Cl.[Cl-]
4 meas.
MOL
3D
#1704
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]C(=S)Nc1cccc(F)c1)c1ccc(Cl)cc1Cl.[Cl-]
4 meas.
MOL
3D
#1703
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#1702
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#1701
Ru(2)
donors: {"N": 2}
Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2Cl)c(C)c1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#1700
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1ccccc1)c1ccc(Cl)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#1699
Ru(2)
donors: {"N": 7}
Fc1cc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc(F)c1F.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#1698
Ru(2)
donors: {"O": 1, "N": 2}
[O-]c1ccc2ccccc2c1/C=N/c1ccc2c(c1)Cc1ccccc1-2.c1ccccc1.c1ccncc1
3 meas.
MOL
3D
#1697
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccc2ccccc2c1/C=N/c1ccc2c(c1)Cc1ccccc1-2.c1ccccc1
3 meas.
MOL
3D
#1696
Ru(2)
donors: {"N": 2}
C(=N/c1ccc2c(c1)Cc1ccccc1-2)\c1ccccn1.[Cl-].c1ccccc1
9 meas.
MOL
3D
#1695
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.Cc1cccc(=S)n1[O-]
7 meas.
MOL
3D
#1694
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1cccc(=S)n1[O-].[Cl-]
7 meas.
MOL
3D
#1693
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(=S)n([O-])c1.Cc1ccc(C(C)C)cc1
7 meas.
MOL
3D
#1692
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(=S)n([O-])c1.Cc1ccc(C(C)C)cc1.[Cl-]
7 meas.
MOL
3D
#1691
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.Cc1ccn([O-])c(=S)c1
7 meas.
MOL
3D
#1690
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1ccn([O-])c(=S)c1.[Cl-]
7 meas.
MOL
3D
#1689
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.Cc1cccn([O-])c1=S
8 meas.
MOL
3D
#1688
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1cccn([O-])c1=S.[Cl-]
8 meas.
MOL
3D
#1687
Ru(2)
donors: {"O": 1, "N": 4}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Cl-]
5 meas.
MOL
3D
#1686
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Clc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Cl-]
5 meas.
MOL
3D
#1685
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
5 meas.
MOL
3D
#1684
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccnc2c1ccc1cccnc12.[Cl-]
8 meas.
MOL
3D
#1683
Ru(2)
donors: {"N": 2, "S": 2}
Cc1ccc(C(C)C)cc1.N#C/C([S-])=C(/[S-])C#N
5 meas.
MOL
3D
#1682
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1nc2ccccc2s1)c1cccs1.[Cl-]
3 meas.
MOL
3D
#1681
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1nc2ccccc2o1)c1cccs1.[Cl-]
3 meas.
MOL
3D
#1680
Ru(2)
donors: {"N": 3}
C/C(=N\NC(N)=S)c1cc2ccc(O)cc2oc1=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1679
Ru(2)
donors: {"N": 3}
C/C(=N\NC(N)=O)c1cc2ccc(O)cc2oc1=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1678
Ru(2)
donors: {"N": 3}
C/C(=N\NC(N)=S)c1cc2cc(Cl)ccc2oc1=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1677
Ru(2)
donors: {"N": 3}
C/C(=N\NC(N)=O)c1cc2cc(Cl)ccc2oc1=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1676
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2[n-]c(-c3ccc4ccc(-c5nc6ccccc6[nH]5)nc4n3)nc2c1
4 meas.
MOL
3D
#1675
Ru(2)
donors: {"N": 7}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1
4 meas.
MOL
3D
#1674
Ru(2)
donors: {"N": 4, "P": 1}
Cc1ccc(C(C)C)cc1.NS(=O)(=O)c1ccccc1C(=O)Nc1ccc(NC(=S)c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#1673
Ru(2)
donors: {"N": 3, "P": 1}
Cc1ccc(C(C)C)cc1.NS(=O)(=O)c1ccc(NC(=S)c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#1672
Ru(2)
donors: {"N": 4, "P": 1}
Cc1ccc(C(C)C)cc1.O=S1(=O)N=C(NCCNC(=S)c2ccccn2)c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#1671
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NS(=O)(=O)c1ccc(NC(=S)c2ccccn2)cc1.[Cl-]
16 meas.
MOL
3D
#1670
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=S1(=O)N=C(NCCNC(=S)c2ccccn2)c2ccccc21.[Cl-]
4 meas.
MOL
3D
#1669
Ru(2)
donors: {"N": 2, "S": 2, "P": 1}
Cc1ccc(C(C)C)cc1.N#C/C([S-])=C(/[S-])C#N.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#1668
Ru(2)
donors: {"N": 2, "S": 2, "O": 2, "P": 1}
Cc1ccc(C(C)C)cc1.N#C/C([S-])=C(/[S-])C#N.O=S(=O)([O-])c1cccc(P(c2ccc(C(F)(F)F)cc2)c2cccc(S(=O)(=O)[O-])c2)c1
4 meas.
MOL
3D
#1667
Ru(2)
donors: {"N": 2, "S": 2, "O": 3, "P": 1}
Cc1ccc(C(C)C)cc1.N#C/C([S-])=C(/[S-])C#N.O=S(=O)([O-])c1cccc(P(c2cccc(S(=O)(=O)[O-])c2)c2cccc(S(=O)(=O)[O-])c2)c1
4 meas.
MOL
3D
#1666
Ru(2)
donors: {"N": 5, "P": 1, "S": 2}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.Cc1ccc(C(C)C)cc1.N#C/C([S-])=C(/[S-])C#N
4 meas.
MOL
3D
#1665
Ru(2)
donors: {"N": 5, "P": 1, "S": 2}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.N#C/C([S-])=C(/[S-])C#N
4 meas.
MOL
3D
#1664
Ru(2)
donors: {"N": 2}
CC(C)c1ccc(/C=N/NC(=O)c2ccccc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1663
Ru(2)
donors: {"N": 3}
Cc1c(/N=C/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1662
Ru(2)
donors: {"N": 3}
Cc1c(N)c(=O)n(-c2ccccc2)n1C.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1661
Ru(2)
donors: {"N": 2}
C=C1CC[C@@H]2[C@](C)(CC[C@H](O)[C@]2(C)CO)[C@H]1C/C=C1/C(=O)OCC1NNC(=O)c1cccs1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1660
Ru(2)
donors: {"N": 3}
C=C1CC[C@@H]2[C@](C)(CC[C@H](O)[C@]2(C)CO)[C@H]1C/C=C1/C(=O)OCC1NNC(=O)c1cccnc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1659
Ru(2)
donors: {"N": 2}
C=C1CC[C@@H]2[C@](C)(CC[C@H](O)[C@]2(C)CO)[C@H]1C/C=C1/C(=O)OCC1NNC(=O)c1ccco1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
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