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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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Os
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#1758
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C1C=CC(=O)N1c1ccc2cn[nH]c2c1.[Br-].[Br-]
3 meas.
MOL
3D
#1757
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C1C=CC(=O)N1c1ccc2cn[nH]c2c1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1756
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccc(Cl)cc1)C(F)(F)F
4 meas.
MOL
3D
#1755
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccco1)C(F)(F)F
2 meas.
MOL
3D
#1754
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1cccs1)C(F)(F)F
4 meas.
MOL
3D
#1753
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccc2ccccc2c1)C(F)(F)F
2 meas.
MOL
3D
#1752
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccccc1)C(F)(F)F
2 meas.
MOL
3D
#1751
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccc(Cl)cc1)C(F)(F)F.[Cl-]
2 meas.
MOL
3D
#1750
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccco1)C(F)(F)F.[Cl-]
2 meas.
MOL
3D
#1749
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.[Cl-]
2 meas.
MOL
3D
#1748
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccc2ccccc2c1)C(F)(F)F.[Cl-]
2 meas.
MOL
3D
#1747
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccccc1)C(F)(F)F.[Cl-]
2 meas.
MOL
3D
#1746
Ru(2)
donors: {"N": 2}
COc1ccc(/N=C/c2ccc3ccccc3n2)cc1.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
6 meas.
MOL
3D
#1745
Ru(2)
donors: {"N": 1}
COc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1.Cc1c(C)c(C)[c-](C)c1C
4 meas.
MOL
3D
#1744
Ru(2)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C(c1ccccc1)N1CCCCC1
4 meas.
MOL
3D
#1743
Ru(2)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C(NCc1ccccc1)c1ccccc1
4 meas.
MOL
3D
#1742
Ru(2)
donors: {"N": 1}
CCCNC(=O)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C
4 meas.
MOL
3D
#1741
Ru(2)
donors: {"O": 2}
CCCCOC(=O)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C
4 meas.
MOL
3D
#1740
Ru(2)
donors: {"O": 2}
CCOC(=O)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C
17 meas.
MOL
3D
#1739
Ru(2)
donors: {"O": 2}
COC(=O)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C
4 meas.
MOL
3D
#1738
Ru(2)
donors: {"O": 2}
Cc1c(C)c(C)[c-](C)c1C.O=C(O)c1ccccc1
4 meas.
MOL
3D
#1737
Ru(2)
donors: {"N": 3, "S": 1, "O": 2, "P": 2}
CN/C([S-])=N/N=C/c1c([O-])ccc2ccccc12.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1736
Ru(2)
donors: {"N": 3, "S": 1, "O": 1, "P": 2}
CN/C([S-])=N\N=C\c1c(O)ccc2ccccc12.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1735
Ru(2)
donors: {"N": 2}
CC(C)c1cc(C(C)C)cc(C(C)C)c1.Cc1ccc(/C=N/c2ccc(C(F)(F)F)cc2)nc1.[Cl-]
4 meas.
MOL
3D
#1734
Ru(2)
donors: {"N": 2}
CC(C)c1cc(C(C)C)cc(C(C)C)c1.Cc1ccc(/C=N/c2cccc(C(F)(F)F)c2)nc1.[Cl-]
4 meas.
MOL
3D
#1733
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccccc1
7 meas.
MOL
3D
#1732
Ru(2)
donors: {"N": 5}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCNCCN.[Cl-].c1ccccc1
3 meas.
MOL
3D
#1731
Ru(2)
donors: {"N": 2}
Cc1ccccc1.Fc1ccc(NC(=S)c2ccccn2)cc1.[Cl-]
4 meas.
MOL
3D
#1730
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Fc1ccc(NC(=S)c2ccccn2)cc1.[Cl-]
8 meas.
MOL
3D
#1729
Ru(2)
donors: {"O": 1}
COc1cc(-c2oc3ccccc3c(=O)c2[O-])cc(OC)c1OC.Cc1ccc(C(C)C)cc1.[Cl-]
7 meas.
MOL
3D
#1728
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2ccc(C(F)(F)F)cc2)oc2ccccc12.[Cl-]
4 meas.
MOL
3D
#1727
Ru(2)
donors: {"N": 1, "O": 1}
CCOC(=O)[C@H](Cc1ccccc1)NC(C)=O.COc1cc(-c2oc3ccccc3c(=O)c2[O-])cc(OC)c1OC.[Cl-]
4 meas.
MOL
3D
#1726
Ru(2)
donors: {"N": 1, "O": 1}
CCOC(=O)[C@H](Cc1ccccc1)NC(C)=O.O=c1c([O-])c(-c2ccc(C(F)(F)F)cc2)oc2ccccc12.[Cl-]
4 meas.
MOL
3D
#1725
Ru(2)
donors: {"N": 1, "O": 1}
CCOC(=O)[C@H](Cc1ccccc1)NC(C)=O.Cc1ccc(-c2oc3ccccc3c(=O)c2[O-])cc1.[Cl-]
4 meas.
MOL
3D
#1724
Ru(2)
donors: {"N": 1, "O": 1}
CCOC(=O)[C@H](Cc1ccccc1)NC(C)=O.O=c1c([O-])c(-c2ccc(Br)cc2)oc2ccccc12.[Cl-]
4 meas.
MOL
3D
#1723
Ru(2)
donors: {"N": 1, "O": 1}
CCOC(=O)[C@H](Cc1ccccc1)NC(C)=O.O=c1c([O-])c(-c2ccc(F)cc2)oc2ccccc12.[Cl-]
4 meas.
MOL
3D
#1722
Ru(2)
donors: {"N": 3, "S": 1, "O": 1, "P": 2}
COc1cccc2[c-]c(/C(C)=N/N=C(\[S-])Nc3ccccc3)c(=O)oc12.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)c...
3 meas.
MOL
3D
#1721
Ru(2)
donors: {"N": 3, "S": 1, "O": 1, "P": 2}
CCN/C([S-])=N/N=C(\C)c1[c-]c2cccc(OC)c2oc1=O.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#1720
Ru(2)
donors: {"N": 3, "S": 1, "O": 1, "P": 2}
CN/C([S-])=N/N=C(\C)c1[c-]c2cccc(OC)c2oc1=O.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#1719
Ru(2)
donors: {"N": 3, "S": 1, "O": 1, "P": 2}
COc1cccc2[c-]c(/C(C)=N/N=C(/N)[S-])c(=O)oc12.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#1718
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[I-].[O-]c1ccc(Br)c2cccnc12
3 meas.
MOL
3D
#1717
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.[I-]
6 meas.
MOL
3D
#1716
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1ccc(Br)c2cccnc12
7 meas.
MOL
3D
#1715
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.[Cl-]
6 meas.
MOL
3D
#1714
Ru(2)
donors: {"O": 1, "N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccs1
1 meas.
MOL
3D
#1713
Ru(2)
donors: {"O": 1, "N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1
1 meas.
MOL
3D
#1712
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.[Cl-].c1cnc2nc3c4cccnc4c4ncccc4c3nc2c1
4 meas.
MOL
3D
#1711
Ru(2)
donors: {"N": 5}
Cc1ccccc1.[Cl-].c1cnc2nc3c4cccnc4c4ncccc4c3nc2c1
4 meas.
MOL
3D
#1710
Ru(2)
donors: {"N": 5}
[Cl-].c1ccccc1.c1cnc2nc3c4cccnc4c4ncccc4c3nc2c1
4 meas.
MOL
3D
#1709
Ru(2)
donors: {"N": 2}
COc1ccccc1NC(=S)[N-]C(=O)c1ccc(Cl)cc1Cl.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
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