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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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#6908
Rh(3)
donors: {"N": 3}
Brc1ccc(/N=N/c2ccccc2)nc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
2 meas.
MOL
3D
#6907
Rh(3)
donors: {"N": 3}
Brc1ccc(/N=N/c2ccccc2)nc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6906
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.Oc1ccc(/N=N/c2ccccn2)cc1.[Cl-]
2 meas.
MOL
3D
#6905
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.Oc1ccc(/N=N/c2ccccn2)cc1.[Cl-]
2 meas.
MOL
3D
#6904
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Fc1ccc(/N=N/c2ccccc2)nc1.[Cl-]
2 meas.
MOL
3D
#6903
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Oc1ccc(/N=N/c2ccc(C(F)(F)F)cn2)cc1.[Cl-]
5 meas.
MOL
3D
#6902
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Oc1ccc(/N=N/c2ccc(Br)cn2)cc1.[Cl-]
5 meas.
MOL
3D
#6901
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Oc1ccc(/N=N/c2ccccn2)cc1.[Cl-]
2 meas.
MOL
3D
#6900
Rh(3)
donors: {"N": 7}
[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
5 meas.
MOL
3D
#6899
Rh(3)
donors: {"N": 5}
O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
5 meas.
MOL
3D
#6898
Rh(3)
donors: {"N": 5}
Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
5 meas.
MOL
3D
#6897
Rh(3)
donors: {"N": 5}
Cc1ccc(-c2ccc(C)cn2)nc1.[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
5 meas.
MOL
3D
#6896
Rh(3)
donors: {"N": 5}
[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#6895
Rh(3)
donors: {"O": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1cc(=O)c([O-])co1.[Cl-]
3 meas.
MOL
3D
#6894
Rh(3)
donors: {"O": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1occc(=O)c1[O-].[Cl-]
3 meas.
MOL
3D
#6893
Rh(3)
donors: {"N": 5}
CC1(C)[C@@H]2CC[C@@]1(C)c1[nH]nc(-c3cccc(-c4n[nH]c5c4[C@H]4CC[C@]5(C)C4(C)C)n3)c12.[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#6892
Rh(3)
donors: {"N": 3}
[Cl-].[Cl-].[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
4 meas.
MOL
3D
#6891
Rh(3)
donors: {"N": 3}
[Cl-].[Cl-].[Cl-].c1ccc(CNCc2ccccn2)nc1
2 meas.
MOL
3D
#6890
Rh(3)
donors: {"N": 3}
NCCNCCN.[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#6889
Rh(3)
donors: {"N": 7}
CC#N.Cc1cc(-c2ccccc2)n2nc3nc(-n4nc(C)cc4-c4ccccc4)cc(C)c3c2n1.[Cl-].[Cl-].[Cl-]
7 meas.
MOL
3D
#6888
Rh(3)
donors: {"N": 6}
CCCCc1c(C)nn(-c2cc(C)c3c(n2)nn2c(C)c(CCCC)c(C)nc32)c1C.O.[Cl-].[Cl-].[Cl-]
7 meas.
MOL
3D
#6887
Rh(3)
donors: {"O": 1, "N": 6}
CO.Cc1cc(-n2nc(C(C)C)cc2C(C)C)nc2nn3c(C(C)C)cc(C(C)C)nc3c12.[Cl-].[Cl-].[Cl-]
7 meas.
MOL
3D
#6886
Rh(3)
donors: {"N": 6}
Cc1cc(C)n2nc3nc(-n4nc(C)cc4C)cc(C)c3c2n1.O.[Cl-].[Cl-].[Cl-]
7 meas.
MOL
3D
#6885
Rh(3)
donors: {"N": 2, "S": 1, "O": 1}
COc1ccc2c(-c3ccccc3N)nccc2c1.CS(C)=O.[Cl-].[Cl-].[Cl-]
8 meas.
MOL
3D
#6884
Rh(3)
donors: {"N": 2, "S": 1, "O": 1}
COc1cc2ccnc(-c3ccccc3N)c2cc1OC.CS(C)=O.[Cl-].[Cl-].[Cl-]
8 meas.
MOL
3D
#6883
Rh(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.OCc1ccnc(-c2cc(CO)ccn2)c1
2 meas.
MOL
3D
#6882
Rh(3)
donors: {"N": 3}
[Cl-].[Cl-].[Cl-].c1ccc(-c2cc(-c3cccs3)cc(-c3ccccn3)n2)nc1
5 meas.
MOL
3D
#6881
Rh(1)
donors: {"P": 3}
[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#6880
Rh(3)
donors: {"O": 2, "N": 2, "P": 1}
[Cl-].[O-]c1ccc(F)c2cccnc12.[O-]c1ccc(F)c2cccnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#6879
Rh(3)
donors: {"O": 2, "N": 2, "P": 1}
[Cl-].[O-]c1ccc(Cl)c2cccnc12.[O-]c1ccc(Cl)c2cccnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#6878
Rh(3)
donors: {"O": 1, "N": 1, "P": 2}
[Cl-].[Cl-].[O-]c1ccc(Br)c2cccnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#6877
Rh(3)
donors: {"O": 1, "N": 1, "P": 2}
[Cl-].[Cl-].[O-]c1cccc2cccnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#6876
Rh(3)
donors: {"S": 1, "O": 1, "N": 4}
CS(C)=O.Cc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1C.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#6875
Rh(3)
donors: {"N": 2, "S": 1, "O": 1}
COc1ccnc2c1ccc1c(OC)ccnc12.CS(C)=O.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#6874
Rh(3)
donors: {"S": 1, "O": 1, "N": 2}
CS(C)=O.Cc1c(C)c2cccnc2c2ncccc12.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#6873
Rh(3)
donors: {"S": 1, "O": 1, "N": 2}
CS(C)=O.Cc1ccnc2c1ccc1c(C)ccnc12.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#6872
Rh(3)
donors: {"O": 2, "N": 6}
Cc1ccc([O-])c(-n2nc3ccccc3n2)c1.Cc1ccc([O-])c(-n2nc3ccccc3n2)c1.O.O
2 meas.
MOL
3D
#6871
Rh(3)
donors: {"N": 3}
CCn1c2ccccc2c2cc(/N=C/c3ccccn3)ccc21.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#6870
Rh(3)
donors: {"O": 1, "N": 2}
COc1ccc([O-])c(N=Cc2ccccn2)c1.O.[Cl-].[Cl-]
6 meas.
MOL
3D
#6869
Rh(3)
donors: {"O": 1, "N": 2}
Cc1ccc([O-])c(N=Cc2ccccn2)c1.O.[Cl-].[Cl-]
6 meas.
MOL
3D
#6868
Rh(3)
donors: {"O": 1, "N": 2}
O.[Cl-].[Cl-].[O-]c1ccccc1N=Cc1ccccn1
6 meas.
MOL
3D
#6867
Rh(3)
donors: {"O": 2, "N": 2}
O.O=[N+]([O-])c1ccc([O-])c(N=Cc2ccccn2)c1.[Cl-].[Cl-]
6 meas.
MOL
3D
#6866
Rh(3)
donors: {"O": 1, "N": 2}
O.[Cl-].[Cl-].[O-]c1ccc(F)cc1N=Cc1ccccn1
6 meas.
MOL
3D
#6865
Rh(3)
donors: {"O": 1, "N": 2}
O.[Cl-].[Cl-].[O-]c1ccc(Cl)cc1N=Cc1ccccn1
6 meas.
MOL
3D
#6864
Rh(3)
donors: {"O": 1, "N": 2}
COc1ccc([O-])c(N=Cc2ccc3ccccc3n2)c1.O.[Cl-].[Cl-]
6 meas.
MOL
3D
#6863
Rh(3)
donors: {"O": 1, "N": 2}
Cc1ccc([O-])c(N=Cc2ccc3ccccc3n2)c1.O.[Cl-].[Cl-]
6 meas.
MOL
3D
#6862
Rh(3)
donors: {"O": 1, "N": 2}
O.[Cl-].[Cl-].[O-]c1ccccc1N=Cc1ccc2ccccc2n1
6 meas.
MOL
3D
#6861
Rh(3)
donors: {"O": 2, "N": 2}
O.O=[N+]([O-])c1ccc([O-])c(N=Cc2ccc3ccccc3n2)c1.[Cl-].[Cl-]
6 meas.
MOL
3D
#6860
Rh(3)
donors: {"O": 1, "N": 2}
O.[Cl-].[Cl-].[O-]c1ccc(F)cc1N=Cc1ccc2ccccc2n1
6 meas.
MOL
3D
#6859
Rh(3)
donors: {"O": 1, "N": 2}
O.[Cl-].[Cl-].[O-]c1ccc(Cl)cc1N=Cc1ccc2ccccc2n1
6 meas.
MOL
3D
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4/142 (7058 total)