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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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Donor atoms
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#4808
Ru(2)
donors: {"N": 6}
Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#4807
Ru(2)
donors: {"N": 8}
Cc1cccc(-c2cccc(C)n2)n1.c1ccc(-c2ccccn2)nc1.c1cnc2nc(-c3ccc4cccnc4n3)ccc2c1
1 meas.
MOL
3D
#4806
Ru(2)
donors: {"N": 8}
Cc1cccc(-c2cccc(C)n2)n1.c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3cnc4ccccc4n3)cnc2c1
1 meas.
MOL
3D
#4805
Ru(2)
donors: {"N": 6}
Cc1cccc(-c2cccc(C)n2)n1.c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
1 meas.
MOL
3D
#4804
Ru(2)
donors: {"N": 8}
Cc1cccc(-c2cccc(C)n2)n1.c1ccc(-c2ccccn2)nc1.c1cnc(-c2cnccn2)cn1
1 meas.
MOL
3D
#4803
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2nc(-c3ccc4cccnc4n3)ccc2c1
1 meas.
MOL
3D
#4802
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3cnc4ccccc4n3)cnc2c1
1 meas.
MOL
3D
#4801
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
1 meas.
MOL
3D
#4800
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc(-c2cnccn2)cn1
1 meas.
MOL
3D
#4799
Ru(2)
donors: {"N": 6}
c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1.c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
2 meas.
MOL
3D
#4798
Ru(2)
donors: {"N": 6}
CCCCCCCC/C=C\CCCCCCCC(=O)NCCNC(=O)c1ccnc(-c2cc(C(=O)NCCNC(=O)CCCCCCC/C=C\CCCCCCCC)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2c...
9 meas.
MOL
3D
#4797
Ru(2)
donors: {"N": 6}
c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
5 meas.
MOL
3D
#4796
Ru(2)
donors: {"N": 6}
c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
5 meas.
MOL
3D
#4795
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.Cc1cn([C@@H]2O[C@H]3[C@H](OP4OC[C@H]3O4)[C@H]2O)c(=O)[nH]c1=O.[Cl-].[Cl-]
2 meas.
MOL
3D
#4794
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=c1[nH]c(=O)n([C@@H]2O[C@H]3[C@H](OP4OC[C@H]3O4)[C@H]2O)cc1F.[Cl-].[Cl-]
2 meas.
MOL
3D
#4793
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=c1ccn([C@@H]2O[C@H]3[C@H](OP4OC[C@H]3O4)[C@H]2O)c(=O)[nH]1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4792
Ru(2)
donors: {"N": 8}
NCCN.NCCN.c1ccc2c3c4c(cccc4cc2c1)-c1nc2c4cccnc4c4ncccc4c2nc1-3
1 meas.
MOL
3D
#4791
Ru(2)
donors: {"N": 8}
NCCN.NCCN.c1ccc2c(-c3ccc4nc5c6cccnc6c6ncccc6c5nc4c3)c3ccccc3cc2c1
1 meas.
MOL
3D
#4790
Ru(2)
donors: {"N": 8}
NCCN.NCCN.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
1 meas.
MOL
3D
#4789
Ru(3)
donors: {"N": 3, "S": 1}
C/C(=N\N=C(\N)[S-])c1ccc(C)s1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#4788
Ru(3)
donors: {"N": 3, "S": 1}
C/C(=N\N=C(\N)[S-])c1ccc(Cl)s1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#4787
Ru(3)
donors: {"N": 3, "S": 1, "P": 2}
C/C(=N\N=C(\N)[S-])c1ccc(Cl)s1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#4786
Ru(3)
donors: {"S": 1, "O": 1, "N": 5}
CS(C)=O.O=C(NCCCCCCCCCCCCn1ccnc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-].[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#4785
Ru(3)
donors: {"S": 1, "O": 1, "N": 5}
CS(C)=O.O=C(NCCCCCCn1ccnc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-].[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#4784
Ru(3)
donors: {"S": 1, "O": 1, "N": 5}
CS(C)=O.O=C(NCCCn1ccnc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-].[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#4783
Ru(3)
donors: {"N": 3, "S": 1, "O": 1}
C=C(c1ccc(C(=O)NCCCCCCCCn2ccnc2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#4782
Ru(3)
donors: {"N": 3, "S": 1, "O": 1}
C=C(c1ccc(C(=O)NCCCCCCn2ccnc2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#4781
Ru(3)
donors: {"N": 3, "S": 1, "O": 1}
C=C(c1ccc(C(=O)NCCCn2ccnc2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#4780
Ru(2)
donors: {"N": 2, "P": 2}
Cc1ccc(-c2ccc(C)cn2)nc1.[Cl-].[Cl-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4779
Ru(2)
donors: {"N": 2, "P": 2}
Cc1ccnc(-c2cc(C)ccn2)c1.[Cl-].[Cl-].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4778
Ru(2)
donors: {"N": 2, "P": 2}
COc1ccnc(-c2cc(OC)ccn2)c1.[Cl-].[Cl-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4777
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
Cc1ccc(-c2ccc(C)cn2)nc1.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4776
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
CC(C)[C@H](N)C(=O)[O-].Cc1ccc(-c2ccc(C)cn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4775
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
Cc1ccnc(-c2cc(C)ccn2)c1.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4774
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
Cc1ccnc(-c2cc(C)ccn2)c1.N[C@@H](Cc1ccc(O)cc1)C(=O)[O-].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4773
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
CC(C)[C@H](N)C(=O)[O-].Cc1ccnc(-c2cc(C)ccn2)c1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4772
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
C[C@H](N)C(=O)[O-].Cc1ccnc(-c2cc(C)ccn2)c1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4771
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
Cc1ccnc(-c2cc(C)ccn2)c1.NCC(=O)[O-].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4770
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
COc1ccnc(-c2cc(OC)ccn2)c1.CSCC[C@H](N)C(=O)[O-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4769
Ru(2)
donors: {"N": 5, "O": 1, "P": 2}
COc1ccnc(-c2cc(OC)ccn2)c1.N[C@@H](Cc1cnc[nH]1)C(=O)[O-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4768
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
COc1ccnc(-c2cc(OC)ccn2)c1.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4767
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
CC(C)[C@H](N)C(=O)[O-].COc1ccnc(-c2cc(OC)ccn2)c1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4766
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
COc1ccnc(-c2cc(OC)ccn2)c1.C[C@H](N)C(=O)[O-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4765
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
COc1ccnc(-c2cc(OC)ccn2)c1.NCC(=O)[O-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4764
Ru(2)
donors: {"N": 7}
O=C(N/N=C\c1ccc(Oc2ccc(Cl)cc2)cc1)c1ccncc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4763
Ru(2)
donors: {"N": 7}
O=C(N/N=C\c1ccc(Oc2ccc(Cl)cc2)cc1)c1ccncc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#4762
Ru(2)
donors: {"N": 8}
NC(=S)N1N=C(c2ccc(O)cc2)CC1c1ccc[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4761
Ru(2)
donors: {"N": 8}
NC(=S)N1N=C(c2ccc(O)cc2)CC1c1ccc[nH]1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#4760
Ru(2)
donors: {"N": 8}
NC(=S)N1N=C(c2ccc(F)cc2)CC1c1ccc[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4759
Ru(2)
donors: {"N": 8}
NC(=S)N1N=C(c2ccc(F)cc2)CC1c1ccc[nH]1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
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46/142 (7058 total)