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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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#6858
Rh(3)
donors: {"O": 2, "N": 2, "P": 1}
Cc1ccc2c(Br)cc(Br)c([O-])c2n1.Cc1ccc2c(Br)cc(Br)c([O-])c2n1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#6857
Rh(3)
donors: {"O": 2, "N": 2, "P": 1}
Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#6856
Rh(3)
donors: {"O": 2, "N": 2, "P": 1}
[Cl-].[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#6855
Rh(3)
donors: {"O": 2, "N": 2, "P": 1}
Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#6854
Rh(3)
donors: {"N": 4}
O=C(Nc1cccc(Br)c1)c1ccccn1.O=C([N-]c1cccc(Br)c1)c1ccccn1.[I-].[I-]
9 meas.
MOL
3D
#6853
Rh(3)
donors: {"N": 4}
O=C(Nc1cccc(Br)c1)c1ccccn1.O=C([N-]c1cccc(Br)c1)c1ccccn1.[Cl-].[Cl-]
9 meas.
MOL
3D
#6852
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#6851
Rh(3)
donors: {"O": 1, "N": 3}
Cc1c(C)c(C)[c-](C)c1C.O=C([O-])CCCc1ccccc1.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#6850
Rh(3)
donors: {"O": 1, "N": 3}
CCCC(CCC)C(=O)[O-].Cc1c(C)c(C)[c-](C)c1C.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#6849
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.[I-].c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#6848
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.[Br-].c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#6847
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#6846
Rh(3)
donors: {"S": 3, "O": 1}
C1CSCCS1.CS(C)=O.[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#6845
Rh(3)
donors: {"S": 1, "O": 1, "N": 4}
CS(C)=O.[Cl-].[Cl-].[Cl-].c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
2 meas.
MOL
3D
#6844
Rh(3)
donors: {"S": 1, "O": 1, "N": 4}
CS(C)=O.[Cl-].[Cl-].[Cl-].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
6 meas.
MOL
3D
#6843
Rh(3)
donors: {"S": 1, "O": 1, "N": 4}
CS(C)=O.[Cl-].[Cl-].[Cl-].c1cnc2c(c1)c1nccnc1c1cccnc12
4 meas.
MOL
3D
#6842
Rh(3)
donors: {"S": 1, "O": 1, "N": 2}
CS(C)=O.[Cl-].[Cl-].[Cl-].c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#6841
Rh(3)
donors: {"S": 1, "O": 1, "N": 2}
CS(C)=O.[Cl-].[Cl-].[Cl-].c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#6840
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(NCc2ccccn2)cc1.[Cl-]
3 meas.
MOL
3D
#6839
Rh(3)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#6838
Rh(3)
donors: {"N": 2}
C/C(=N\c1c(C(C)C)cccc1C(C)C)c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#6837
Rh(3)
donors: {"O": 1}
CC(=O)/C=C(/C)[O-].Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#6836
Rh(3)
donors: {"N": 3, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-]
1 meas.
MOL
3D
#6835
Rh(3)
donors: {"O": 1}
COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#6834
Rh(3)
donors: {"O": 1}
COc1ccc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(OC)c(OC)c2)cc1OC.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#6833
Rh(3)
donors: {"O": 1}
COc1ccccc1/C=C/C(=O)/C=C([O-])/C=C/c1ccccc1OC.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#6832
Rh(3)
donors: {"O": 1}
COc1ccc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(OC)cc2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#6831
Rh(3)
donors: {"O": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C(/C=C([O-])/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1.[Cl-]
3 meas.
MOL
3D
#6830
Rh(3)
donors: {"O": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C(/C=C([O-])/C=C/c1ccc(F)cc1)/C=C/c1ccc(F)cc1.[Cl-]
3 meas.
MOL
3D
#6829
Rh(3)
donors: {"O": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C(/C=C([O-])/C=C/c1ccccc1)/C=C/c1ccccc1.[Cl-]
3 meas.
MOL
3D
#6828
Rh(3)
donors: {"S": 2, "N": 6}
[S-]c1ccccn1.[S-]c1ccccn1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
2 meas.
MOL
3D
#6827
Rh(3)
donors: {"S": 2, "N": 6}
[S-]c1ccccn1.[S-]c1ccccn1.c1cnc2c(c1)c1nccnc1c1cccnc12
2 meas.
MOL
3D
#6826
Rh(3)
donors: {"N": 6, "S": 2}
CN(C)C(=S)[S-].CN(C)C(=S)[S-].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
2 meas.
MOL
3D
#6825
Rh(3)
donors: {"N": 6, "S": 2}
CN(C)C(=S)[S-].CN(C)C(=S)[S-].c1cnc2c(c1)c1nccnc1c1cccnc12
2 meas.
MOL
3D
#6824
Rh(3)
donors: {"N": 4, "S": 2}
CN(C)C(=S)[S-].CN(C)C(=S)[S-].Cc1c(C)c2cccnc2c2ncccc12
2 meas.
MOL
3D
#6823
Rh(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C([O-])c1cc2ccccc2cn1.[Cl-]
3 meas.
MOL
3D
#6822
Rh(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C([O-])c1ccc2ccccc2n1.[Cl-]
3 meas.
MOL
3D
#6821
Rh(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1cccc(C(=O)[O-])n1.[Cl-]
3 meas.
MOL
3D
#6820
Rh(3)
donors: {"O": 1, "N": 3}
CCO.Cc1ccc2[nH]c(=O)c(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2c1.[Cl-].[Cl-].[Cl-]
5 meas.
MOL
3D
#6819
Rh(3)
donors: {"O": 1, "N": 3}
CCO.Cc1ccc2[nH]c(=O)c(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2c1.[Cl-].[Cl-].[Cl-]
5 meas.
MOL
3D
#6818
Rh(3)
donors: {"O": 1, "N": 3}
CCO.Cc1ccc2[nH]c(=O)c(-c3nc4cc(F)c(F)cc4[nH]3)cc2c1.[Cl-].[Cl-].[Cl-]
5 meas.
MOL
3D
#6817
Rh(3)
donors: {"O": 1, "N": 3}
CCO.Cc1ccc2[nH]c(=O)c(-c3nc4cc(C)c(C)cc4[nH]3)cc2c1.[Cl-].[Cl-].[Cl-]
5 meas.
MOL
3D
#6816
Rh(3)
donors: {"O": 1, "N": 3}
CCO.Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)cc2c1.[Cl-].[Cl-].[Cl-]
5 meas.
MOL
3D
#6815
Rh(3)
donors: {"N": 2}
COc1ccnc2c1ccc1c(OC)ccnc12.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6814
Rh(3)
donors: {"O": 1, "N": 2}
Cc1c(C)c(C)[c-](C)c1C.O=[N+]([O-])c1cc2cccnc2c2ncccc12.[Cl-]
3 meas.
MOL
3D
#6813
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Clc1cc2cccnc2c2ncccc12.[Cl-]
3 meas.
MOL
3D
#6812
Rh(3)
donors: {"N": 1, "O": 1}
Cc1c(C)c(C)[c-](C)c1C.O=Nc1c([O-])ccc2ccccc12.[Cl-]
3 meas.
MOL
3D
#6811
Rh(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(Cn2c(-c3cscn3)nc3ccccc32)cc1
2 meas.
MOL
3D
#6810
Rh(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2[nH]c(-c3cscn3)nc2c1
2 meas.
MOL
3D
#6809
Rh(3)
donors: {"N": 5}
CCCCNC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
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