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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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Donor atoms
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#1058
Ru(2)
donors: {"S": 2, "N": 2, "P": 2}
[S-]C1=NCCS1.[S-]C1=NCCS1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1057
Ru(2)
donors: {"S": 1, "N": 3, "P": 2}
[S-]C1=NCCS1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
16 meas.
MOL
3D
#1056
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
9 meas.
MOL
3D
#1055
Ru(2)
donors: {"N": 4}
Cc1c(C)c(C)c(C)c(C)c1C.[Cl-].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
3 meas.
MOL
3D
#1054
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc(-c2ccccc2)cc1
14 meas.
MOL
3D
#1053
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc2c(c1)Cc1ccccc1C2
1 meas.
MOL
3D
#1052
Ru(2)
donors: {"N": 2}
C1=CCC2=C(C1)Cc1ccccc1C2.NCCN.[Cl-]
1 meas.
MOL
3D
#1051
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc(-c2ccccc2-c2ccccc2)cc1
6 meas.
MOL
3D
#1050
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc2c(c1)CCCC2
2 meas.
MOL
3D
#1049
Ru(2)
donors: {"N": 2}
Oc1cccnc1-c1ncccc1O.[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#1048
Ru(2)
donors: {"N": 2}
Nc1ccccc1N.[Cl-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#1047
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc2c(c1)CCC2
2 meas.
MOL
3D
#1046
Ru(2)
donors: {"N": 2}
CC(N)CN.[Cl-].c1ccc2c(c1)CCC2
2 meas.
MOL
3D
#1045
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc2c(c1)CCc1ccccc1-2
2 meas.
MOL
3D
#1044
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc2c(c1)Cc1ccccc1-2
2 meas.
MOL
3D
#1043
Ru(2)
donors: {"N": 2}
Cc1c(C)c(C)c(C)c(C)c1C.NCCN.[Cl-]
2 meas.
MOL
3D
#1042
Ru(2)
donors: {"N": 1, "P": 2}
CC(C)N(C(C)C)P(=O)(c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1041
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.O=C(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1.[Cl-].[Cl-]
9 meas.
MOL
3D
#1040
Ru(2)
donors: {"N": 6}
COCCOCCOCCOc1ccc(/C=C/C2=[N+]3C(=C(c4ccc(CN(Cc5ccccn5)Cc5ccccn5)cc4)c4c(C)cc(/C=C/c5ccc(OCCOCCOCCOC)c(OCCOCCOCCOC)c5)n4[...
2 meas.
MOL
3D
#1039
Ru(2)
donors: {"N": 7}
CC(=O)Nc1cc2cccnc2c2ncccc12.COCCOCCOCCOc1ccc(/C=C/C2=[N+]3C(=C(c4ccc(CN(Cc5ccccn5)Cc5ccccn5)cc4)c4c(C)cc(/C=C/c5ccc(OCCO...
2 meas.
MOL
3D
#1038
Ru(2)
donors: {"N": 6}
CC1=CC(C)=[N+]2C1=C(c1ccc(CN(Cc3ccccn3)Cc3ccccn3)cc1)c1c(C)cc(C)n1[B-]2(F)F.O=C(CCCC[C@H]1SC[C@H]2NC(O)N[C@H]21)Nc1cc2cc...
2 meas.
MOL
3D
#1037
Ru(2)
donors: {"N": 7}
CC(=O)Nc1cc2cccnc2c2ncccc12.CC1=CC(C)=[N+]2C1=C(c1ccc(CN(Cc3ccccn3)Cc3ccccn3)cc1)c1c(C)cc(C)n1[B-]2(F)F.[Cl-]
2 meas.
MOL
3D
#1036
Ru(2)
donors: {"N": 6}
CC(=O)Nc1cc2cccnc2c2ncccc12.[Cl-].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1
1 meas.
MOL
3D
#1035
Ru(2)
donors: {"N": 5}
CC1=NN(c2ccccc2)C(=O)/C1=C(\[N-]Nc1ccccn1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#1034
Ru(2)
donors: {"N": 5}
CC1=NN(c2ccccc2)C(=O)/C1=C(\[N-]Nc1ccccn1)c1ccccc1.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
6 meas.
MOL
3D
#1033
Ru(2)
donors: {"N": 4, "O": 2}
Cc1ccc(C(C)C)cc1.Cc1nn(-c2ccccc2)c([O-])c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1ccccc1.[Cl-]
6 meas.
MOL
3D
#1032
Ru(2)
donors: {"N": 4, "O": 2}
Cc1c(C)c(C)c(C)c(C)c1C.Cc1nn(-c2ccccc2)c([O-])c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1ccccc1.[Cl-]
6 meas.
MOL
3D
#1031
Ru(2)
donors: {"N": 4, "O": 3}
Cc1ccc(C(C)C)cc1.Cc1nn(-c2ccccc2)c([O-])c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1.[Cl-]
6 meas.
MOL
3D
#1030
Ru(2)
donors: {"N": 4, "O": 3}
Cc1c(C)c(C)c(C)c(C)c1C.Cc1nn(-c2ccccc2)c([O-])c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1.[Cl-]
6 meas.
MOL
3D
#1029
Ru(2)
donors: {"N": 2}
CCCC(CCC)C(=O)Oc1ccc(/N=C/C=N/c2ccc(OC(=O)C(CCC)CCC)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1028
Ru(2)
donors: {"N": 2}
CC(=O)Oc1ccccc1C(=O)Oc1ccc(/N=C/C=N/c2ccc(OC(=O)c3ccccc3OC(C)=O)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1027
Ru(2)
donors: {"N": 2}
CC(=O)Oc1ccc(/N=C/C=N/c2ccc(OC(C)=O)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1026
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Oc1ccc(/N=C/C=N/c2ccc(O)cc2)cc1.[Cl-]
3 meas.
MOL
3D
#1025
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.OC1CCC(/N=C/C=N/C2CCC(O)CC2)CC1.[Cl-]
3 meas.
MOL
3D
#1024
Ru(2)
donors: {"N": 2}
C(/C=N/C1CCCCC1)=N\C1CCCCC1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1023
Ru(2)
donors: {"N": 6}
CCCCC(C)CC1(CC(CC)CCCC)c2cc(-c3cnc4c(ccc5cc(-c6ccc7c(c6)C(CC(CC)CCCC)(CC(CC)CCCC)c6cc(-c8nc9ccccc9s8)ccc6-7)cnc54)c3)ccc...
4 meas.
MOL
3D
#1022
Ru(2)
donors: {"N": 6}
CCCCC(C)CC1(CC(CC)CCCC)c2cc(-c3cnc4c(ccc5cc(-c6ccc7c(c6)C(CC(CC)CCCC)(CC(CC)CCCC)c6cc(-c8nc9ccccc9s8)ccc6-7)cnc54)c3)ccc...
4 meas.
MOL
3D
#1021
Ru(2)
donors: {"N": 6}
CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3cnc4c(ccc5cc(-c6ccc7c(c6)C(CC(CC)CCCC)(CC(CC)CCCC)c6cc(-c8nc9ccccc9s8)ccc6-7)cnc54)c3)cc...
4 meas.
MOL
3D
#1020
Ru(2)
donors: {"N": 8}
CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3cnc4c(ccc5cc(-c6ccc7c(c6)C(CC(CC)CCCC)(CC(CC)CCCC)c6cc(-c8nc9ccccc9s8)ccc6-7)cnc54)c3)cc...
4 meas.
MOL
3D
#1019
Ru(2)
donors: {"N": 8}
CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3cnc4c(ccc5cc(-c6ccc7c(c6)C(CC(CC)CCCC)(CC(CC)CCCC)c6cc(-c8nc9ccccc9s8)ccc6-7)cnc54)c3)cc...
4 meas.
MOL
3D
#1018
Ru(2)
donors: {"N": 5, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.Cc1nn(-c2ccccc2)c([O-])c1C(=O)C1C2CC3CC(C2)CC1C3
3 meas.
MOL
3D
#1017
Ru(2)
donors: {"N": 5, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.CCCCCCCCCCCCCCCCCC(=O)c1c(C)nn(-c2ccccc2)c1[O-].Cc1c(C)c(C)c(C)c(C)c1C
3 meas.
MOL
3D
#1016
Ru(2)
donors: {"N": 5, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.CCCCCCCCCCCCCCCCCC(=O)c1c(C)nn(-c2ccccc2)c1[O-].Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#1015
Ru(2)
donors: {"N": 5, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)c(C)c(C)c1C.Cc1nn(-c2ccccc2)c([O-])c1C(=O)C1CCCCC1
3 meas.
MOL
3D
#1014
Ru(2)
donors: {"N": 5, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.Cc1nn(-c2ccccc2)c([O-])c1C(=O)C1CCCCC1
3 meas.
MOL
3D
#1013
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1nn(-c2ccccc2)c([O-])c1C(=O)C1C2CC3CC(C2)CC1C3.[Cl-]
3 meas.
MOL
3D
#1012
Ru(2)
donors: {"N": 2, "O": 1}
CCCCCCCCCCCCCCCCCC(=O)c1c(C)nn(-c2ccccc2)c1[O-].Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
3 meas.
MOL
3D
#1011
Ru(2)
donors: {"N": 2, "O": 1}
CCCCCCCCCCCCCCCCCC(=O)c1c(C)nn(-c2ccccc2)c1[O-].Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1010
Ru(2)
donors: {"N": 2, "O": 1}
Cc1c(C)c(C)c(C)c(C)c1C.Cc1nn(-c2ccccc2)c([O-])c1C(=O)C1CCCCC1.[Cl-]
3 meas.
MOL
3D
#1009
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1nn(-c2ccccc2)c([O-])c1C(=O)C1CCCCC1.[Cl-]
3 meas.
MOL
3D
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