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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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#3758
Ru(2)
donors: {"N": 4}
Fc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#3757
Ru(2)
donors: {"N": 4}
[Cl-].c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccccc1
3 meas.
MOL
3D
#3756
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Oc1cccc(/C=N/NC(=S)Nc2ccccc2)c1O.[Cl-]
4 meas.
MOL
3D
#3755
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NC(=S)N/N=C/c1cccc(O)c1O.[Cl-]
4 meas.
MOL
3D
#3754
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.[O-]c1cccc2cccnc12.c1ccc2[nH]cnc2c1
2 meas.
MOL
3D
#3753
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.[O-]c1cccc2cccnc12.c1c[nH]cn1
2 meas.
MOL
3D
#3752
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.[O-]c1cccc2cccnc12.c1ccc2[nH]ncc2c1
2 meas.
MOL
3D
#3751
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.[O-]c1cccc2cccnc12.c1cn[nH]c1
2 meas.
MOL
3D
#3750
Ru(2)
donors: {"N": 5}
C(=N/c1ccccc1)\c1ccccn1.[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
4 meas.
MOL
3D
#3749
Ru(2)
donors: {"N": 6}
[Cl-].[Cl-].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
11 meas.
MOL
3D
#3748
Ru(2)
donors: {"N": 6}
[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(/N=N/c2ccccn2)cc1
11 meas.
MOL
3D
#3747
Ru(2)
donors: {"N": 8}
CC#N.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(/N=N/c2ccccn2)nc1
11 meas.
MOL
3D
#3746
Ru(2)
donors: {"N": 7}
O.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(/N=N/c2ccccn2)nc1
11 meas.
MOL
3D
#3745
Ru(2)
donors: {"N": 7}
[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(/N=N/c2ccccn2)nc1
11 meas.
MOL
3D
#3744
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])c1cccc(C(=O)O)n1.[Cl-]
8 meas.
MOL
3D
#3743
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=C(O)c1ccc(C(=O)[O-])nc1.[Cl-]
10 meas.
MOL
3D
#3742
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.O=C(O)c1ccnc(C(=O)[O-])c1.[Cl-]
14 meas.
MOL
3D
#3741
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.O=C(O)c1cccnc1C(=O)[O-].[Cl-]
14 meas.
MOL
3D
#3740
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.O=C(O)c1cccnc1.[Cl-].[Cl-]
10 meas.
MOL
3D
#3739
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.O=C(O)c1ccncc1.[Cl-].[Cl-]
10 meas.
MOL
3D
#3738
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Nc1ccc(Cl)cn1.[Cl-].[Cl-]
14 meas.
MOL
3D
#3737
Ru(2)
donors: {"N": 1}
CC(=O)c1ccncc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
10 meas.
MOL
3D
#3736
Ru(2)
donors: {"N": 1}
CC(=O)c1cccnc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
10 meas.
MOL
3D
#3735
Ru(2)
donors: {"O": 2, "N": 6}
O=C([O-])C1(C(=O)[O-])CCC1.c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
2 meas.
MOL
3D
#3734
Ru(2)
donors: {"O": 2, "N": 6}
O=C([O-])CC(=O)[O-].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
2 meas.
MOL
3D
#3733
Ru(2)
donors: {"O": 2, "N": 6}
O=C([O-])C(=O)[O-].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
2 meas.
MOL
3D
#3732
Ru(2)
donors: {"N": 2, "O": 1}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2ccccc2n1.OCCc1ccccc1.[Cl-]
4 meas.
MOL
3D
#3731
Ru(2)
donors: {"N": 2, "O": 1}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2ccccc2n1.OCCCCc1ccccc1.[Cl-]
4 meas.
MOL
3D
#3730
Ru(2)
donors: {"N": 2, "O": 1}
C/C(=N\c1c(C(C)C)cccc1C(C)C)c1ccccn1.OCCc1ccccc1.[Cl-]
4 meas.
MOL
3D
#3729
Ru(2)
donors: {"N": 2, "O": 1}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.OCCc1ccccc1.[Cl-]
4 meas.
MOL
3D
#3728
Ru(2)
donors: {"N": 2, "O": 1}
Cc1cccc(C)c1/N=C/c1ccccn1.OCCCCc1ccccc1.[Cl-]
4 meas.
MOL
3D
#3727
Ru(2)
donors: {"N": 8}
Clc1ccc(C(Cn2ccnc2)OCc2ccccc2Cl)c(Cl)c1.Clc1ccc(C(Cn2ccnc2)OCc2ccccc2Cl)c(Cl)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cc...
4 meas.
MOL
3D
#3726
Ru(2)
donors: {"N": 6}
Clc1ccc(C(Cn2ccnc2)OCc2ccccc2Cl)c(Cl)c1.[Cl-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#3725
Ru(2)
donors: {"P": 2, "N": 2}
c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccnnc1
2 meas.
MOL
3D
#3724
Ru(2)
donors: {"P": 2, "N": 3}
c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ncncn1
2 meas.
MOL
3D
#3723
Ru(2)
donors: {"N": 2}
CCC/N=C/c1ccccn1.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
2 meas.
MOL
3D
#3722
Ru(2)
donors: {"N": 2}
CCC/N=C/c1ccccn1.Cc1c(C)c(C)c(C)c(C)c1C.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#3721
Ru(2)
donors: {"N": 1, "O": 1}
CCC/N=C/c1ccccc1[O-].Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
2 meas.
MOL
3D
#3720
Ru(2)
donors: {"N": 1, "O": 1}
CCC/N=C/c1ccccc1[O-].Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#3719
Ru(2)
donors: {"N": 7}
CC(C)(C)c1ccc(-n2c(-c3ccc(C(F)(F)F)cc3)nc3c4cccnc4c4ncccc4c32)cc1.[c-]1cccc2ccc3cccnc3c12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#3718
Ru(2)
donors: {"N": 8}
CC(C)(C)c1ccc(-n2c(-c3ccc(C(F)(F)F)cc3)nc3c4cccnc4c4ncccc4c32)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#3717
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#3716
Ru(2)
donors: {"N": 1}
CC[C@]12CCC3C4CCC(=O)C=C4CCC3C1C[C@@H](C#Cc1ccnc(-c3[c-]cccc3)c1)[C@@H]2O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3715
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[I-].[O-]c1cccc2ccc(O)nc12
4 meas.
MOL
3D
#3714
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc2cccc([O-])c2n1.[I-]
4 meas.
MOL
3D
#3713
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.O=C1C(=O)C2C=CC=NC2C([O-])=C1Cl.[Cl-]
4 meas.
MOL
3D
#3712
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc2c(Br)cc(Br)c([O-])c2n1.[I-]
4 meas.
MOL
3D
#3711
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc2c(Br)cc(Br)c([O-])c2n1.[Cl-]
4 meas.
MOL
3D
#3710
Ru(2)
donors: {"O": 1, "N": 7}
O=[N+]([O-])c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-].c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
5 meas.
MOL
3D
#3709
Ru(2)
donors: {"N": 8}
CN(C)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-].c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
5 meas.
MOL
3D
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67/142 (7058 total)