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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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Ir
Os
Re
Rh
Ru
Ox. State
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#4708
Ru(2)
donors: {"N": 6}
c1ccc(-c2cccc(-c3cccc(-c4ccccn4)n3)n2)nc1.c1ccncc1.c1ccncc1
2 meas.
MOL
3D
#4707
Ru(2)
donors: {"N": 4}
[Cl-].[Cl-].c1ccc(-c2cccc(-c3cccc(-c4ccccn4)n3)n2)nc1
2 meas.
MOL
3D
#4706
Ru(2)
donors: {"N": 7}
N#Cc1ccc(C#Cc2cc3cccnc3c3ncccc23)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#4705
Ru(2)
donors: {"N": 6}
C(#Cc1cc2cccnc2c2ncccc12)c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#4704
Ru(2)
donors: {"N": 7}
CN(C)c1ccc(C#Cc2cc3cccnc3c3ncccc23)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#4703
Ru(2)
donors: {"N": 4}
O=C1CCCC(=O)Nc2ccc(F)cc2NC(=O)CCCC(=O)Nc2cc(F)ccc2N1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4702
Ru(2)
donors: {"N": 4}
O=C1CCC(=O)Nc2ccc(F)cc2NC(=O)CCC(=O)Nc2cc(F)ccc2N1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4701
Ru(2)
donors: {"N": 4}
O=C1CC(=O)Nc2ccc(F)cc2NC(=O)CC(=O)Nc2cc(F)ccc2N1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4700
Ru(2)
donors: {"N": 1, "O": 1}
CC(=N)c1c([O-])c2ccccc2oc1=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#4699
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.N=C(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[Cl-]
3 meas.
MOL
3D
#4698
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1nn(-c2nc3ccccc3[nH]2)cc1Cl.[I-]
2 meas.
MOL
3D
#4697
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1nn(-c2nc3ccccc3[nH]2)cc1Cl.[Br-]
2 meas.
MOL
3D
#4696
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1nn(-c2nc3ccccc3[nH]2)cc1Cl.[Cl-]
2 meas.
MOL
3D
#4695
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1ccn(-c2nc3ccccc3[nH]2)n1.[I-]
2 meas.
MOL
3D
#4694
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1ccn(-c2nc3ccccc3[nH]2)n1.[Br-]
2 meas.
MOL
3D
#4693
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1ccn(-c2nc3ccccc3[nH]2)n1.[Cl-]
2 meas.
MOL
3D
#4692
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1nn(-c2nc3ccccc3[nH]2)c(C)c1I.[I-]
2 meas.
MOL
3D
#4691
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1nn(-c2nc3ccccc3[nH]2)c(C)c1I.[Cl-]
2 meas.
MOL
3D
#4690
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1nn(-c2nc3ccccc3[nH]2)c(C)c1Cl.[I-]
2 meas.
MOL
3D
#4689
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1nn(-c2nc3ccccc3[nH]2)c(C)c1Cl.[Cl-]
2 meas.
MOL
3D
#4688
Ru(2)
donors: {"N": 4}
Cc1cc(C)n(-c2nc3ccccc3[nH]2)n1.Cc1ccc(C(C)C)cc1.[I-]
2 meas.
MOL
3D
#4687
Ru(2)
donors: {"N": 4}
Cc1cc(C)n(-c2nc3ccccc3[nH]2)n1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#4686
Ru(2)
donors: {"N": 7}
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc1)c1c(C)cc(C)n1[B-]2(F)F.O=C(O)c1ccc(-c2cc(-c3ccccn3)nc(-c3c...
3 meas.
MOL
3D
#4685
Ru(2)
donors: {"N": 7}
COC(=O)/C=C/c1ccc(-c2nccc3c4ccccc4n(C)c23)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#4684
Ru(2)
donors: {"N": 7}
Cn1c2ccccc2c2ccnc(-c3ccc(/C=C/C(=O)O)cn3)c21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#4683
Ru(2)
donors: {"N": 4}
CCOC(=O)c1nn[n-]c1-c1cccc(Br)n1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#4682
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[O-]c1ccc(F)cc1/C=N/c1ccccc1Sc1ccccc1
5 meas.
MOL
3D
#4681
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[O-]c1ccccc1/C=N/c1ccccc1Sc1ccccc1
5 meas.
MOL
3D
#4680
Ru(2)
donors: {"N": 1, "O": 1}
CSc1ccccc1/N=C/c1cc(C)ccc1[O-].Cc1ccc(C(C)C)cc1
5 meas.
MOL
3D
#4679
Ru(2)
donors: {"N": 6}
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccnc(-c2cc(C)ccn2...
5 meas.
MOL
3D
#4678
Ru(2)
donors: {"N": 6}
COc1cc(/C=C\c2ccc(OC)c(/N=C/c3ccc4ccccc4n3)c2)cc(OC)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#4677
Ru(2)
donors: {"N": 6}
COc1cc(/C=C\c2ccc(OC)c(/N=C/c3ccccn3)c2)cc(OC)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#4676
Ru(2)
donors: {"N": 6}
COc1cc(/C=C\c2ccc(OC)c(/N=C/c3ccc4ccccc4n3)c2)cc(OC)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#4675
Ru(2)
donors: {"N": 6}
COc1cc(/C=C\c2ccc(OC)c(/N=C/c3ccccn3)c2)cc(OC)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#4674
Ru(2)
donors: {"N": 7}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCn1ccnc1.Cc1ccc(C(C)C)cc1.NCCN
5 meas.
MOL
3D
#4673
Ru(2)
donors: {"N": 7}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1ccnc1.Cc1ccc(C(C)C)cc1.NCCN
5 meas.
MOL
3D
#4672
Ru(2)
donors: {"N": 5}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1ccnc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#4671
Ru(2)
donors: {"N": 5}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCNCc1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#4670
Ru(2)
donors: {"N": 5}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCc1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#4669
Ru(2)
donors: {"O": 1}
CSC(=S)/C=C(\[O-])c1cccc(O)c1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#4668
Ru(2)
donors: {"N": 6}
COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1c[nH]c(-c2ncc[nH]2)n1
3 meas.
MOL
3D
#4667
Ru(2)
donors: {"N": 8}
c1c[nH]c(-c2ncc[nH]2)n1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#4666
Ru(2)
donors: {"O": 2, "N": 4}
O=C([O-])CC(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4665
Ru(2)
donors: {"O": 1, "P": 2, "N": 4}
[C-]#[O+].[Cl-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
4 meas.
MOL
3D
#4664
Ru(2)
donors: {"P": 1}
CCCC(CCC)C(=O)Oc1ccc(P(c2ccccc2)c2ccccc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4663
Ru(2)
donors: {"N": 1, "P": 1}
Cc1ccc(C(C)C)cc1.O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)Oc1ccc(P(c2ccccc2)c2ccccc2)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4662
Ru(2)
donors: {"P": 1, "N": 1}
COc1ccc2c(c1)c(CC(=O)Oc1ccc(P(c3ccccc3)c3ccccc3)cc1)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4661
Ru(2)
donors: {"P": 1}
C=C(CC)C(=O)c1ccc(OCC(=O)Oc2ccc(P(c3ccccc3)c3ccccc3)cc2)c(Cl)c1Cl.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4660
Ru(2)
donors: {"P": 1}
CC(C)Cc1ccc(C(C)C(=O)Oc2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4659
Ru(2)
donors: {"P": 1}
CC(=O)Oc1ccccc1C(=O)Oc1ccc(P(c2ccccc2)c2ccccc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
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