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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
Re
Rh
Ru
Ox. State
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#1658
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.S=C(N/N=C/c1sc2ccccc2c1Br)Nc1ccccc1.[Cl-]
3 meas.
MOL
3D
#1657
Ru(2)
donors: {"N": 3}
CNC(=S)N/N=C/c1sc2ccccc2c1Br.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1656
Ru(2)
donors: {"N": 3}
Cc1c(/C=N/NC(=S)Nc2ccccc2)sc2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1655
Ru(2)
donors: {"N": 3}
Cc1c(/C=N/NC(=S)N(C)C)sc2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1654
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(/C(C#N)=C3/C=C(C(F)(F)F)c4cc5c6c(c4O3)CCCN6CCC5)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#1653
Ru(2)
donors: {"N": 8}
CC1=C/C(=C(\C#N)c2ccnc(-c3cc(C)ccn3)c2)Oc2c1cc1c3c2CCCN3CCC1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#1652
Ru(2)
donors: {"N": 8}
CC1=C/C(=C(\C#N)c2ccnc(-c3cc(C)ccn3)c2)Oc2c1cc1c3c2CCN3CC1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#1651
Ru(2)
donors: {"N": 2, "P": 2}
[Cl-].[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1650
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
O=C1c2ccccc2C(=O)c2c([O-])cccc21.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#1649
Ru(2)
donors: {"N": 4}
C(=N/N=C/c1ccc2ccccc2n1)\c1ccc2ccccc2n1.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
2 meas.
MOL
3D
#1648
Ru(2)
donors: {"N": 4}
C(=N/N=C/c1ccc2ccccc2n1)\c1ccc2ccccc2n1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#1647
Ru(2)
donors: {"N": 6}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1
12 meas.
MOL
3D
#1646
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C1c2ccccc2C(=O)c2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)ccc21
4 meas.
MOL
3D
#1645
Ru(2)
donors: {"O": 1}
COc1ccc(/C=C/C(=O)c2c([O-])cc(OC)cc2OC)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1644
Ru(2)
donors: {"N": 4}
Cc1ccc(-n2[c-]c(-c3[c-][n+](-c4ccc(C)cc4)[n-][n+]3C)nn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1643
Ru(2)
donors: {"N": 4}
Cc1ccc(-n2[c-]c(-c3[c-][n+](-c4ccc(C)cc4)[n-][n+]3C)nn2)cc1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#1642
Ru(2)
donors: {"N": 1}
O=C1Nc2ccccc2C2C=CC=CC12.[Cl-].c1ccccc1
1 meas.
MOL
3D
#1641
Ru(2)
donors: {"N": 4}
O=C1Nc2ccccc2C2C=CC=CC12.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#1640
Ru(2)
donors: {"N": 4}
CC#N.CC#N.CN(C)Cc1[c-]cccc1.O=C1Nc2ccccc2C2C=CC=CC12
1 meas.
MOL
3D
#1639
Ru(2)
donors: {"N": 7}
O=c1ccc(-c2cc3cccnc3c3ncccc23)c[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#1638
Ru(2)
donors: {"N": 7}
O=c1[nH]c2cccnc2c2ncccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#1637
Ru(2)
donors: {"N": 6}
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)NCCCCCCCCNC(=O)c1ccnc(-c3ccccn3)c1)c1nnc(C)n1-2.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn...
4 meas.
MOL
3D
#1636
Ru(2)
donors: {"N": 6}
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)NCCCCCCCCNC(=O)c1ccnc(-c3ccccn3)c1)c1nnc(C)n1-2.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccn...
4 meas.
MOL
3D
#1635
Ru(2)
donors: {"N": 6}
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)NCCCCCCCCNC(=O)c1ccnc(-c3ccccn3)c1)c1nnc(C)n1-2.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2...
4 meas.
MOL
3D
#1634
Ru(2)
donors: {"N": 5}
O=C(O)c1ccnc(-c2ccccn2)c1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#1633
Ru(2)
donors: {"N": 6}
O=C(O)c1ccnc(-c2ccccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
MOL
3D
#1632
Ru(2)
donors: {"N": 6}
O=C(O)c1ccnc(-c2ccccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#1631
Ru(2)
donors: {"N": 6}
Oc1c(I)cc(I)cc1/C=N/c1ccccc1/N=C/c1cc(I)cc(I)c1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#1630
Ru(2)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
1 meas.
MOL
3D
#1629
Ru(2)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
1 meas.
MOL
3D
#1628
Ru(2)
donors: {"N": 5}
O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#1627
Ru(3)
donors: {"O": 2, "N": 1, "As": 2}
O=C([O-])c1cc(O)cc(C(=O)[O-])n1.[Cl-].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#1626
Ru(3)
donors: {"O": 2, "N": 1, "P": 2}
O=C([O-])c1cc(O)cc(C(=O)[O-])n1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#1625
Ru(2)
donors: {"O": 3, "N": 1, "As": 2}
O=C([O-])c1cc(O)cc(C(=O)[O-])n1.[C-]#[O+].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#1624
Ru(2)
donors: {"O": 3, "N": 1, "P": 2}
O=C([O-])c1cc(O)cc(C(=O)[O-])n1.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#1623
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.O=C(CCc1cccnc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Cl-].[Cl-]
10 meas.
MOL
3D
#1622
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.O=C(CCc1cccnc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Cl-].[Cl-]
6 meas.
MOL
3D
#1621
Ru(2)
donors: {"N": 1}
CCCCCCCCCCCCCCCCCCOC(=O)CCc1cccnc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#1620
Ru(2)
donors: {"N": 1}
CCCCCCCCCCCCOC(=O)CCc1cccnc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#1619
Ru(2)
donors: {"N": 1}
CCCCCCCCCCOC(=O)CCc1cccnc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#1618
Ru(2)
donors: {"N": 1}
CCCCCCCCOC(=O)CCc1cccnc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#1617
Ru(2)
donors: {"N": 1, "O": 2}
O=C(CCc1cccnc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(=O)[O-].c1ccccc1
5 meas.
MOL
3D
#1616
Ru(2)
donors: {"N": 1, "O": 2}
Cc1ccc(C(C)C)cc1.O=C(CCc1cccnc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(=O)[O-]
5 meas.
MOL
3D
#1615
Ru(2)
donors: {"N": 1}
O=C(CCc1cccnc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Cl-].[Cl-].c1ccccc1
5 meas.
MOL
3D
#1614
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.O=C(CCc1cccnc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Cl-].[Cl-]
18 meas.
MOL
3D
#1613
Ru(2)
donors: {"N": 5, "O": 1}
COc1cc(C(C)C(C)OC(=O)c2ccnc(-c3ccccn3)n2)c([N+](=O)[O-])cc1OC.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4cccnc4c4ncccc4...
5 meas.
MOL
3D
#1612
Ru(2)
donors: {"S": 2, "O": 2, "N": 2}
CS(C)=O.CS(C)=O.O=C(NC[C@H](O)CO)c1cnc2c3c(cccc13)-c1ccccc1C2=O.[Cl-].[Cl-]
7 meas.
MOL
3D
#1611
Ru(2)
donors: {"S": 2, "O": 2, "N": 2}
CS(C)=O.CS(C)=O.O=C(NC[C@@H](O)CO)c1cnc2c3c(cccc13)-c1ccccc1C2=O.[Cl-].[Cl-]
7 meas.
MOL
3D
#1610
Ru(2)
donors: {"S": 2, "O": 2, "N": 2}
CS(C)=O.CS(C)=O.O=C(NCC(O)CO)c1cnc2c3c(cccc13)-c1ccccc1C2=O.[Cl-].[Cl-]
7 meas.
MOL
3D
#1609
Ru(2)
donors: {"S": 4, "O": 2}
C1CSCCSCCS1.CS(C)=O.CS(C)=O.CS(C)=O
2 meas.
MOL
3D
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109/142 (7058 total)