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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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#5908
Ir(3)
donors: {"N": 5, "O": 1}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[O-]N=C(c1ccccn1)c1ccccn1
3 meas.
MOL
3D
#5907
Ir(3)
donors: {"N": 5, "O": 1}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.N/C(=N\[O-])c1ccccn1
3 meas.
MOL
3D
#5906
Ir(3)
donors: {"N": 4, "O": 1}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[O-]/N=C/c1ccccn1
3 meas.
MOL
3D
#5905
Ir(3)
donors: {"N": 6}
FC1(F)Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2O1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
4 meas.
MOL
3D
#5904
Ir(3)
donors: {"N": 6}
FC1(F)Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2O1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5903
Ir(3)
donors: {"N": 6}
FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c3ccccc3cc2c1
2 meas.
MOL
3D
#5902
Ir(3)
donors: {"N": 6}
FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
1 meas.
MOL
3D
#5901
Ir(3)
donors: {"N": 6}
FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.c1cnc2c(c1)c1nc[nH]c1c1cccnc12
1 meas.
MOL
3D
#5900
Ir(3)
donors: {"N": 4}
[Cl-].[c-]1ccccc1-c1ccccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
5 meas.
MOL
3D
#5899
Ir(3)
donors: {"N": 5}
O=C(CCCc1ccccc1)Nc1ccnc(-c2ccccn2)c1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1
8 meas.
MOL
3D
#5898
Ir(3)
donors: {"N": 2}
COC(=O)c1ccc2c(c1)nc(-c1[c-]cccc1)n2Cc1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#5897
Ir(3)
donors: {"N": 2}
COC(=O)c1ccc2c(c1)nc(-c1[c-]cccc1)n2C.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#5896
Ir(3)
donors: {"N": 3}
CN(C)C(=O)c1cccnc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5895
Ir(3)
donors: {"N": 2}
COC(=O)c1cccnc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5894
Ir(3)
donors: {"N": 2}
CC(=O)c1cccnc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5893
Ir(3)
donors: {"N": 3}
CN(C)c1ccncc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5892
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.OCc1ccncc1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5891
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Cc1cccnc1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5890
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Cc1ccncc1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5889
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[c-]1ccccc1-c1ccccn1.c1ccncc1
3 meas.
MOL
3D
#5888
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].[Cl-].c1ccncc1
2 meas.
MOL
3D
#5887
Ir(3)
donors: {"N": 3}
C(=Nc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccncc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].[Cl-]
3 meas.
MOL
3D
#5886
Ir(3)
donors: {"N": 3}
C(=Nc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccncc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-]
3 meas.
MOL
3D
#5885
Ir(3)
donors: {"N": 2}
COc1ccc(N(c2ccc(C=Cc3ccncc3)cc2)c2ccc(OC)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].[Cl-]
3 meas.
MOL
3D
#5884
Ir(3)
donors: {"N": 2}
COc1ccc(N(c2ccc(C=Cc3ccncc3)cc2)c2ccc(OC)cc2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-]
3 meas.
MOL
3D
#5883
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccncc3)cc2)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#5882
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccncc3)cc2)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#5881
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].[Cl-].c1ccc(N(c2ccccc2)c2ccc(-c3ccncc3)cc2)cc1
3 meas.
MOL
3D
#5880
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].c1ccc(N(c2ccccc2)c2ccc(-c3ccncc3)cc2)cc1
3 meas.
MOL
3D
#5879
Ir(3)
donors: {"N": 2}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccncc3)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].[Cl-]
3 meas.
MOL
3D
#5878
Ir(3)
donors: {"N": 2}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccncc3)cc2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-]
3 meas.
MOL
3D
#5877
Ir(3)
donors: {"N": 6}
Nc1ncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
1 meas.
MOL
3D
#5876
Ir(3)
donors: {"N": 7}
[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccncc2c1
1 meas.
MOL
3D
#5875
Ir(3)
donors: {"N": 6}
Nc1ncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
1 meas.
MOL
3D
#5874
Ir(3)
donors: {"N": 7}
[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccncc2c1
1 meas.
MOL
3D
#5873
Ir(3)
donors: {"N": 6}
CCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OCC)c1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
4 meas.
MOL
3D
#5872
Ir(3)
donors: {"N": 6}
CCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OCC)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#5871
Ir(3)
donors: {"N": 5}
O=C(O)CCC(=O)NCCCCc1ccnc2c1ccc1cccnc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#5870
Ir(3)
donors: {"N": 6}
Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CCC(=O)NCCCCc2ccnc3c2ccc2cccnc23)C(=O)Cn2cnc3c(N)ncnc32)C(=O)Cn2c...
1 meas.
MOL
3D
#5869
Ir(3)
donors: {"N": 5}
O=C(Nc1ccnc(-c2ccccn2)c1)OCc1ccc(B(O)O)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5868
Ir(3)
donors: {"N": 2}
CCC(C)([N-]c1c(C(C)C)cccc1C(C)C)c1ccccn1.Cc1c(C)c(C)[c-](C)c1C
4 meas.
MOL
3D
#5867
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1cc(C)c(CC([N-]c2c(C(C)C)cccc2C(C)C)c2ccccn2)c(C)c1
4 meas.
MOL
3D
#5866
Ir(3)
donors: {"N": 2}
CCC(=Nc1c(C(C)C)cccc1C(C)C)c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#5865
Ir(3)
donors: {"N": 2}
CCC(Nc1c(C(C)C)cccc1C(C)C)c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#5864
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[c-]1cccc2c1c1ncccc1c1nccnc21
1 meas.
MOL
3D
#5863
Ir(3)
donors: {"N": 5}
Cc1c(C)c(C)[c-](C)c1C.[c-]1cccc2c1c1ncccc1c1nc3cc4ccccc4cc3nc21.c1ccc(Cn2ccnc2)cc1
7 meas.
MOL
3D
#5862
Ir(3)
donors: {"N": 5}
Cc1c(C)c(C)[c-](C)c1C.[c-]1cccc2c1c1ncccc1c1nc3ccccc3nc21.c1ccc(Cn2ccnc2)cc1
2 meas.
MOL
3D
#5861
Ir(3)
donors: {"N": 6}
Cc1c(C)c(C)[c-](C)c1C.[c-]1cccc2c1c1ncccc1c1nc3cc4ccccc4cc3nc21.c1cn(CCN2CCCCC2)cn1
7 meas.
MOL
3D
#5860
Ir(3)
donors: {"N": 6}
Cc1c(C)c(C)[c-](C)c1C.[c-]1cccc2c1c1ncccc1c1nc3ccccc3nc21.c1cn(CCN2CCCCC2)cn1
2 meas.
MOL
3D
#5859
Ir(3)
donors: {"N": 5}
Cc1c(C)c(C)[c-](C)c1C.[c-]1cccc2c1c1ncccc1c1nc3cc4ccccc4cc3nc21.c1c[nH]cn1
7 meas.
MOL
3D
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24/142 (7058 total)