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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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Donor atoms
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#2808
Ru(2)
donors: {"N": 7}
COc1ccc(/C=N\NC(=O)c2ccncc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#2807
Ru(2)
donors: {"N": 7}
COc1ccc(/C=N\NC(=O)c2ccncc2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2806
Ru(2)
donors: {"N": 4, "O": 1}
NC(=S)N/N=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#2805
Ru(2)
donors: {"N": 4, "O": 1}
NC(=S)N/N=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2804
Ru(2)
donors: {"N": 7}
NC(=S)N/N=C\c1ccc(F)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#2803
Ru(2)
donors: {"N": 7}
NC(=S)N/N=C\c1ccc(F)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2802
Ru(2)
donors: {"N": 7}
Cc1ccc(/C=N\NC(N)=S)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
8 meas.
MOL
3D
#2801
Ru(2)
donors: {"N": 7}
Cc1ccc(/C=N\NC(N)=S)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
8 meas.
MOL
3D
#2800
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Nc1ccc2occc(=O)c2c1.[Cl-].[Cl-]
4 meas.
MOL
3D
#2799
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1.[Cl-].[Cl-]
4 meas.
MOL
3D
#2798
Ru(2)
donors: {"N": 1}
Cc1cc(=O)c2ccc(N)cc2o1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#2797
Ru(2)
donors: {"N": 1}
Cc1c(C)c(C)c(C)c(C)c1C.Nc1ccc2c(=O)cc(-c3ccccc3)oc2c1.[Cl-].[Cl-]
4 meas.
MOL
3D
#2796
Ru(2)
donors: {"N": 1}
Nc1ccc2c(=O)cc(-c3ccccc3)oc2c1.[Cl-].[Cl-].c1ccccc1
4 meas.
MOL
3D
#2795
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Nc1ccc2c(=O)cc(-c3ccccc3)oc2c1.[Cl-].[Cl-]
4 meas.
MOL
3D
#2794
Ru(2)
donors: {"N": 2}
COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#2793
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#2792
Ru(2)
donors: {"N": 2}
COc1ccc(NC(=S)NC(=O)c2ccccc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#2791
Ru(2)
donors: {"N": 8}
[c-]1cccc2c1c1ncccc1c1nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)[nH]c21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#2790
Ru(2)
donors: {"N": 8}
[c-]1cccc2c1c1ncccc1c1nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)[nH]c21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#2789
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1[O-].[Cl-]
2 meas.
MOL
3D
#2788
Ru(2)
donors: {"N": 6}
c1ccc2[nH]c(-c3ccnc(-c4cc(-c5nc6ccccc6[nH]5)ccn4)c3)nc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#2787
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2[nH]c(-c3ccnc(-c4cc(-c5nc6ccccc6[nH]5)ccn4)c3)nc2c1
2 meas.
MOL
3D
#2786
Ru(2)
donors: {"N": 5, "O": 1}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1
6 meas.
MOL
3D
#2785
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#2784
Ru(2)
donors: {"N": 5, "O": 1}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[n...
6 meas.
MOL
3D
#2783
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#2782
Ru(2)
donors: {"N": 5, "O": 1}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1
6 meas.
MOL
3D
#2781
Ru(2)
donors: {"N": 6, "P": 2}
O=c1[nH]ccc2[nH]ncc12.O=c1[nH]ccc2[nH]ncc12.[Cl-].[Cl-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#2780
Ru(2)
donors: {"N": 6, "P": 2}
O=c1[nH]ccc2[nH]ncc12.O=c1[nH]ccc2[nH]ncc12.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#2779
Ru(2)
donors: {"N": 6}
O=c1[nH]c(=O)n(CCCCNc2cc3cccnc3c3ncccc23)cc1F.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4...
6 meas.
MOL
3D
#2778
Ru(2)
donors: {"N": 6}
O=c1[nH]c(=O)n(CCCCNc2cc3cccnc3c3ncccc23)cc1F.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#2777
Ru(2)
donors: {"N": 6}
O=c1[nH]c(=O)n(CCCCNc2cc3cccnc3c3ncccc23)cc1F.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#2776
Ru(2)
donors: {"N": 7}
c1ccc(CN(c2ccccn2)c2ccccn2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#2775
Ru(2)
donors: {"N": 7}
c1ccc(Nc2ccccn2)nc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#2774
Ru(3)
donors: {"O": 2, "N": 4}
CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CCCCCCCCCCCCNC(C)=N.CCCCCCCCCCCCNC(C)=N
7 meas.
MOL
3D
#2773
Ru(3)
donors: {"O": 2, "N": 4}
CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CCCCCCCCCCNC(C)=N.CCCCCCCCCCNC(C)=N
7 meas.
MOL
3D
#2772
Ru(3)
donors: {"O": 2, "N": 4}
CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CCCCCCNC(C)=N.CCCCCCNC(C)=N
14 meas.
MOL
3D
#2771
Ru(3)
donors: {"O": 2, "N": 4}
CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CCCCNC(C)=N.CCCCNC(C)=N
14 meas.
MOL
3D
#2770
Ru(2)
donors: {"N": 6}
c1ccc(-n2c(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)n3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)n3)nc3ccccc32)cc...
6 meas.
MOL
3D
#2769
Ru(2)
donors: {"N": 7}
Cc1ccc(C(C)C)cc1.S=C(N/N=C/c1ccccc1)N/N=C/c1ccc2ccccc2n1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#2768
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1Cc1cccnc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#2767
Ru(2)
donors: {"O": 1, "N": 4}
Cc1ccc(C(C)C)cc1.O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Cc1cccnc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#2766
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=C1c2cccc3cccc(c23)C(=O)N1Cc1cccnc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#2765
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.c1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccccn2)nc1.c1ccncc1
6 meas.
MOL
3D
#2764
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccccn2)nc1
4 meas.
MOL
3D
#2763
Ru(2)
donors: {"N": 5, "O": 1}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.O=[N+]([O-])c1cc2c(cc1-c1nc3c4cccnc4c4ncccc4...
7 meas.
MOL
3D
#2762
Ru(2)
donors: {"P": 2, "N": 6}
[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2nc3nc4c5cccnc5c5ncccc5c4nc3nc2c1
3 meas.
MOL
3D
#2761
Ru(2)
donors: {"O": 1, "P": 1, "N": 4}
[C-]#[O+].[Cl-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc2nc3nc4c5cccnc5c5ncccc5c4nc3nc2c1
3 meas.
MOL
3D
#2760
Ru(2)
donors: {"P": 2, "N": 6}
[Cl-].[Cl-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc2nc3nc4c5cccnc5c5ncccc5c4nc3nc2c1
6 meas.
MOL
3D
#2759
Ru(2)
donors: {"N": 4, "O": 2, "P": 1}
C[n+]1[c-]n(-c2cccc(-n3[c-][n+](C)cc3)n2)cc1.O=C([O-])c1cccc(C(=O)[O-])n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
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86/142 (7058 total)