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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
Has 3D struct
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#6808
Rh(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.O=C(O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Cl-]
3 meas.
MOL
3D
#6807
Rh(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.Cc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1C.[Cl-]
3 meas.
MOL
3D
#6806
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c2cccnc2c2ncccc12.[Cl-]
2 meas.
MOL
3D
#6805
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccnc2c1ccc1c(C)ccnc12.[Cl-]
3 meas.
MOL
3D
#6804
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1cc2cccnc2c2ncccc12.[Cl-]
3 meas.
MOL
3D
#6803
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccnc2c1ccc1cccnc12.[Cl-]
3 meas.
MOL
3D
#6802
Rh(3)
donors: {"N": 5}
[Cl-].[Cl-].[Cl-].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
3 meas.
MOL
3D
#6801
Rh(3)
donors: {"N": 2}
CCC/N=C/c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6800
Rh(3)
donors: {"N": 1, "O": 1}
CCC/N=C/c1ccccc1[O-].Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6799
Rh(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#6798
Rh(3)
donors: {"N": 1}
CC[C@]12CCC3C4CCC(=O)C=C4CCC3C1C[C@@H](C#Cc1ccnc(-c3[c-]cccc3)c1)[C@@H]2O.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#6797
Rh(3)
donors: {"S": 1, "N": 4}
Cc1c(C)c(C)[c-](C)c1C.[S-]c1ccc2ccccc2c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
2 meas.
MOL
3D
#6796
Rh(3)
donors: {"S": 1, "N": 4}
Cc1c(C)c(C)[c-](C)c1C.[S-]c1ccccc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
2 meas.
MOL
3D
#6795
Rh(3)
donors: {"N": 6}
CN(C)C(=S)N(C)C.Cc1c(C)c(C)[c-](C)c1C.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
2 meas.
MOL
3D
#6794
Rh(3)
donors: {"N": 6}
CN(C)C(=S)N(C)C.Cc1c(C)c(C)[c-](C)c1C.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
2 meas.
MOL
3D
#6793
Rh(3)
donors: {"N": 6}
CN(C)C(=S)N(C)C.Cc1c(C)c(C)[c-](C)c1C.c1cnc2c(c1)c1nccnc1c1cccnc12
2 meas.
MOL
3D
#6792
Rh(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
2 meas.
MOL
3D
#6791
Rh(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
5 meas.
MOL
3D
#6790
Rh(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1cnc2c(c1)c1nccnc1c1cccnc12
2 meas.
MOL
3D
#6789
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.NCCN.[Cl-]
4 meas.
MOL
3D
#6788
Rh(3)
donors: {"N": 2}
COC(=O)c1ccc2nc(-c3[c-]cccc3)n(Cc3ccccc3)c2c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#6787
Rh(3)
donors: {"N": 2}
COC(=O)c1ccc2nc(-c3[c-]cccc3)n(C)c2c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#6786
Rh(3)
donors: {"N": 4}
[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
2 meas.
MOL
3D
#6785
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.O=C([N-]c1cccc(Cl)c1)c1ccccn1.[Cl-]
1 meas.
MOL
3D
#6784
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(-c2nccs2)nc1
2 meas.
MOL
3D
#6783
Rh(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.Nc1ccnc(-c2cc(N)ccn2)c1.[Cl-]
3 meas.
MOL
3D
#6782
Rh(3)
donors: {"N": 2}
CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#6781
Rh(3)
donors: {"N": 2}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#6780
Rh(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Nc1ccccc1-c1ccccc1N
2 meas.
MOL
3D
#6779
Rh(3)
donors: {"P": 1}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[c-]1cc2cccc3ccc4ccc(P(c5ccccc5)c5ccccc5)c1c4c23
2 meas.
MOL
3D
#6778
Rh(3)
donors: {"N": 2, "O": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#6777
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccccc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#6776
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.O=C(NC(=S)Nc1ccccc1)c1ccccc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#6775
Rh(3)
donors: {"N": 1, "O": 1}
Cc1c(C)c(C)[c-](C)c1C.O=c1cc(-c2ccccc2)oc2cc(OCCCCN3CCCCC3)cc([O-])c12.[Cl-]
5 meas.
MOL
3D
#6774
Rh(3)
donors: {"O": 1}
Cc1c(C)c(C)[c-](C)c1C.O=c1cc(-c2ccccc2)oc2cc(OCCCCBr)cc([O-])c12.[Cl-]
2 meas.
MOL
3D
#6773
Rh(3)
donors: {"O": 1}
CCCCOc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6772
Rh(3)
donors: {"O": 1}
CCOc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6771
Rh(3)
donors: {"N": 3}
CC(C)[C@H](N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
6 meas.
MOL
3D
#6770
Rh(3)
donors: {"N": 3}
CC(C)[C@@H](N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
6 meas.
MOL
3D
#6769
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccnc(-c2cc(C)ccn2)c1.[Cl-]
4 meas.
MOL
3D
#6768
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#6767
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc2ccc3ccc(C)nc3c2n1.[Cl-]
4 meas.
MOL
3D
#6766
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1cnc2c(c1)ccc1cccnc12
8 meas.
MOL
3D
#6765
Rh(3)
donors: {"N": 2, "O": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C(O)[C@H]1CCCC[NH+]1Cc1cc(Cl)c2cccnc2c1[O-].[Cl-]
3 meas.
MOL
3D
#6764
Rh(3)
donors: {"N": 2, "O": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C(O)[C@H]1CCC[NH+]1Cc1cc(Cl)c2cccnc2c1[O-].[Cl-]
3 meas.
MOL
3D
#6763
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=N/c2ccccc2)cc1.[Cl-]
1 meas.
MOL
3D
#6762
Rh(3)
donors: {"N": 6}
CS(=O)CCCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CS(=O)CCCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-]
1 meas.
MOL
3D
#6761
Rh(3)
donors: {"N": 6}
CS(=O)CCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CS(=O)CCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-]
1 meas.
MOL
3D
#6760
Rh(3)
donors: {"N": 6}
CS(=O)CCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CS(=O)CCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-]
1 meas.
MOL
3D
#6759
Rh(3)
donors: {"N": 6}
CC(=O)SCCCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CC(=O)SCCCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
1 meas.
MOL
3D
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6/142 (7058 total)