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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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#5858
Ir(3)
donors: {"N": 5}
Cc1c(C)c(C)[c-](C)c1C.[c-]1cccc2c1c1ncccc1c1nc3ccccc3nc21.c1c[nH]cn1
2 meas.
MOL
3D
#5857
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[c-]1cccc2c1c1ncccc1c1nc3cc4ccccc4cc3nc21
7 meas.
MOL
3D
#5856
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[c-]1cccc2c1c1ncccc1c1nc3ccccc3nc21
2 meas.
MOL
3D
#5855
Ir(3)
donors: {"N": 4}
Cc1ccnc(-c2cc(C(=O)OCCOCCOCCOCCO)ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
6 meas.
MOL
3D
#5854
Ir(3)
donors: {"N": 4}
Cc1ccnc(-c2cc(C(=O)OCCOCCOCCOCCO)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
6 meas.
MOL
3D
#5853
Ir(3)
donors: {"N": 4}
Cc1ccnc(-c2cc(C(=O)OCCOCCOCCOCCO)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5852
Ir(3)
donors: {"N": 6}
CN(C)c1ccc(-c2c[c-]c(-c3nc4ccccc4n3Cc3ccc(C(F)(F)F)cc3)s2)cc1.CN(C)c1ccc(-c2c[c-]c(-c3nc4ccccc4n3Cc3ccc(C(F)(F)F)cc3)s2)...
4 meas.
MOL
3D
#5851
Ir(3)
donors: {"N": 8}
FC(F)(F)c1ccc(Cn2c(-c3[c-]cc(-c4ccc(C(F)(F)F)cc4)s3)nc3ccccc32)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]cc(-c4ccc(C(F)(F)F)cc4)s3)n...
4 meas.
MOL
3D
#5850
Ir(3)
donors: {"N": 8}
CN(C)c1ccc(-c2c[c-]c(-c3nc4ccccc4s3)s2)cc1.CN(C)c1ccc(-c2c[c-]c(-c3nc4ccccc4s3)s2)cc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
6 meas.
MOL
3D
#5849
Ir(3)
donors: {"N": 6}
FC(F)(F)c1ccc(-c2c[c-]c(-c3nc4ccccc4s3)s2)cc1.FC(F)(F)c1ccc(-c2c[c-]c(-c3nc4ccccc4s3)s2)cc1.c1ccc2nc3c4cccnc4c4ncccc4c3n...
4 meas.
MOL
3D
#5848
Ir(3)
donors: {"N": 5, "S": 1}
CN(C)C([S-])=NN=Cc1c(O)ccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
5 meas.
MOL
3D
#5847
Ir(3)
donors: {"N": 7, "S": 1}
CN(C)C([S-])=NN=Cc1c(O)ccc2ccccc12.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
5 meas.
MOL
3D
#5846
Ir(3)
donors: {"N": 5, "S": 1}
CN(C)C([S-])=NN=Cc1c(O)ccc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
10 meas.
MOL
3D
#5845
Ir(3)
donors: {"N": 5}
NC(=S)NN=Cc1c(O)ccc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5844
Ir(3)
donors: {"N": 8}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)c4nc5c6cccnc6c6ncccc6c5nc34)cc2)cc1.[c-]1cccc...
4 meas.
MOL
3D
#5843
Ir(3)
donors: {"N": 8}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cnc4c(c3)c3nc5ccccc5nc3c3cc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cnc34)cc2)cc1.[c-]1cc...
4 meas.
MOL
3D
#5842
Ir(3)
donors: {"N": 5}
Nc1ccnc(-c2ccccn2)c1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
10 meas.
MOL
3D
#5841
Ir(3)
donors: {"N": 5}
Nc1ccnc(-c2ccccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
10 meas.
MOL
3D
#5840
Ir(3)
donors: {"N": 4}
CCOC(=O)c1nn[n-]c1-c1cccc(Br)n1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5839
Ir(3)
donors: {"N": 6}
Oc1ccc(F)c(F)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
MOL
3D
#5838
Ir(3)
donors: {"N": 6}
Oc1ccc(F)c(F)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
7 meas.
MOL
3D
#5837
Ir(3)
donors: {"N": 6}
Oc1ccc(F)c(F)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
7 meas.
MOL
3D
#5836
Ir(3)
donors: {"N": 6}
Fc1cc(F)cc(-c2cn(-c3ccccn3)nn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5835
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2cn(-c3ccccn3)nn2)cc1
3 meas.
MOL
3D
#5834
Ir(3)
donors: {"N": 7}
CN(C)c1ccc(-c2cn(-c3ccccn3)nn2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5833
Ir(3)
donors: {"N": 7}
Cc1ccnc(-c2cc(COC(=O)CCN3C(=O)c4cccc5c([N-][N+]#N)ccc(c45)C3=O)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5832
Ir(3)
donors: {"N": 2}
COc1ccc([C@@H]([NH-])[C@H]([N-]S(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C
1 meas.
MOL
3D
#5831
Ir(3)
donors: {"N": 2}
COc1ccc([C@@H]([NH-])[C@H]([N-]S(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C
1 meas.
MOL
3D
#5830
Ir(3)
donors: {"N": 2}
COc1ccc([C@@H]([NH-])[C@H]([N-]S(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1.Cc1c(C)c(C)[c-](C)c1C
1 meas.
MOL
3D
#5829
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]([NH-])c2ccccc2)cc1
1 meas.
MOL
3D
#5828
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]([NH-])c2ccccc2)cc1
1 meas.
MOL
3D
#5827
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]([NH-])c2ccccc2)cc1
1 meas.
MOL
3D
#5826
Ir(3)
donors: {"N": 4}
SCCCCCCOc1ccnc(-c2cc(OCCCCCCS)ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
1 meas.
MOL
3D
#5825
Ir(3)
donors: {"N": 6}
C=C/[C-]=C(\C)c1nc2ccccc2[nH]1.C=C/[C-]=C(\C)c1nc2ccccc2[nH]1.CCCCn1c(-c2ccc3ccccc3n2)nc2cc(C(=O)NC[C@H]3CC[C@H](C(=O)NC...
5 meas.
MOL
3D
#5824
Ir(3)
donors: {"N": 6}
C=C/[C-]=C(\C)c1nc2ccccc2[nH]1.C=C/[C-]=C(\C)c1nc2ccccc2[nH]1.CCCCn1c(-c2ccc3ccccc3n2)nc2cc(C(=O)NCCCCCC(=O)NCCCNC(=O)C[...
5 meas.
MOL
3D
#5823
Ir(3)
donors: {"N": 6}
C=C/[C-]=C(\C)c1nc2ccccc2[nH]1.C=C/[C-]=C(\C)c1nc2ccccc2[nH]1.CCCCn1c(-c2ccc3ccccc3n2)nc2cc(C(=O)NCCCNC(=O)C[n+]3ccc(/C(...
5 meas.
MOL
3D
#5822
Ir(3)
donors: {"N": 6}
C=C/[C-]=C(\C)c1nc2ccccc2[nH]1.C=C/[C-]=C(\C)c1nc2ccccc2[nH]1.CCCCn1c(-c2ccc3ccccc3n2)nc2cc(C(=O)NCCCNC(=O)C[n+]3ccc(/C(...
5 meas.
MOL
3D
#5821
Ir(3)
donors: {"N": 6}
C=C/[C-]=C(\C)c1nc2ccccc2[nH]1.C=C/[C-]=C(\C)c1nc2ccccc2[nH]1.CCCCn1c(-c2ccc3ccccc3n2)nc2cc(C(=O)NCCCNC(=O)C[n+]3ccc(/C(...
5 meas.
MOL
3D
#5820
Ir(3)
donors: {"N": 7}
C=C/[C-]=C(\C)c1nc2ccccc2[nH]1.C=C/[C-]=C(\C)c1nc2ccccc2[nH]1.CCCCn1c(-c2ccc3ccccc3n2)nc2cc(C(=O)OC)ccc21
5 meas.
MOL
3D
#5819
Ir(3)
donors: {"N": 7}
CN(C)c1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
2 meas.
MOL
3D
#5818
Ir(3)
donors: {"N": 6}
COc1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
2 meas.
MOL
3D
#5817
Ir(3)
donors: {"O": 1, "N": 6}
O=[N+]([O-])c1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
2 meas.
MOL
3D
#5816
Ir(3)
donors: {"N": 6}
C(=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)\c1ccccc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
2 meas.
MOL
3D
#5815
Ir(3)
donors: {"N": 7}
CN(C)c1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
2 meas.
MOL
3D
#5814
Ir(3)
donors: {"N": 6}
COc1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
2 meas.
MOL
3D
#5813
Ir(3)
donors: {"O": 1, "N": 6}
O=[N+]([O-])c1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
2 meas.
MOL
3D
#5812
Ir(3)
donors: {"N": 6}
C(=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)\c1ccccc1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
2 meas.
MOL
3D
#5811
Ir(3)
donors: {"N": 7}
CN(C)c1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
2 meas.
MOL
3D
#5810
Ir(3)
donors: {"N": 6}
COc1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
2 meas.
MOL
3D
#5809
Ir(3)
donors: {"N": 6, "O": 1}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=[N+]([O-])c1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
2 meas.
MOL
3D
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25/142 (7058 total)