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complexes
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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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Donor atoms
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#4908
Ir(3)
donors: {"N": 8}
Brc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2nsnc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#4907
Ir(3)
donors: {"N": 7}
Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
6 meas.
MOL
3D
#4906
Ir(3)
donors: {"N": 7}
Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
6 meas.
MOL
3D
#4905
Ir(3)
donors: {"N": 7}
Nc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
6 meas.
MOL
3D
#4904
Ir(3)
donors: {"N": 6}
[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12.c1cc2ccc3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c4ccc(c1)c2c34
8 meas.
MOL
3D
#4903
Ir(3)
donors: {"N": 4}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
8 meas.
MOL
3D
#4902
Ir(3)
donors: {"N": 6}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccnc(-c4cc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)ccn4)c3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[...
3 meas.
MOL
3D
#4901
Ir(3)
donors: {"N": 5}
COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccnc(-c4ccccn4)c3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#4900
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccccc2)c2ccc(-c3ccnc(-c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccn4)c3)cc...
3 meas.
MOL
3D
#4899
Ir(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccccc2)c2ccc(-c3ccnc(-c4ccccn4)c3)cc2)cc1
3 meas.
MOL
3D
#4898
Ir(3)
donors: {"N": 2, "P": 2}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(P(c2ccccc2)c2cccc3cccc(P(c4ccccc4)c4ccccc4)c23)cc1
1 meas.
MOL
3D
#4897
Ir(3)
donors: {"N": 2, "P": 2}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#4896
Ir(3)
donors: {"N": 2, "P": 2}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
7 meas.
MOL
3D
#4895
Ir(3)
donors: {"N": 2, "P": 2}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#4894
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([O-])c1ccc(O)cn1.[Cl-]
1 meas.
MOL
3D
#4893
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([O-])c1ncccc1O.[Cl-]
1 meas.
MOL
3D
#4892
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([O-])c1ccc(C(F)(F)F)cn1.[Cl-]
1 meas.
MOL
3D
#4891
Ir(3)
donors: {"N": 1, "O": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.Cc1cccnc1C(=O)[O-].[Cl-]
1 meas.
MOL
3D
#4890
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C(O)c1ccc(C(=O)[O-])nc1.[Cl-]
1 meas.
MOL
3D
#4889
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([O-])c1cc(Cl)ccn1.[Cl-]
1 meas.
MOL
3D
#4888
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([O-])c1ccc(Br)cn1.[Cl-]
1 meas.
MOL
3D
#4887
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=C([O-])c1ccccn1.[Cl-]
2 meas.
MOL
3D
#4886
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
6 meas.
MOL
3D
#4885
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
6 meas.
MOL
3D
#4884
Ir(3)
donors: {"N": 6}
FC(F)(F)c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
7 meas.
MOL
3D
#4883
Ir(3)
donors: {"N": 6}
FC(F)(F)c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
7 meas.
MOL
3D
#4882
Ir(3)
donors: {"N": 6}
FC(F)(F)c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
MOL
3D
#4881
Ir(3)
donors: {"N": 6}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCCCC1
1 meas.
MOL
3D
#4880
Ir(3)
donors: {"N": 6}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(Cn1c(-c2cscn2)nc2ccccc21)NCc1ccccc1
1 meas.
MOL
3D
#4879
Ir(3)
donors: {"N": 6}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccccc1
1 meas.
MOL
3D
#4878
Ir(3)
donors: {"N": 5}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(Cn1c(-c2cscn2)nc2ccccc21)c1ccccc1
1 meas.
MOL
3D
#4877
Ir(3)
donors: {"N": 6}
O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCCCC1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#4876
Ir(3)
donors: {"N": 6}
O=C(Cn1c(-c2cscn2)nc2ccccc21)NCc1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
2 meas.
MOL
3D
#4875
Ir(3)
donors: {"N": 6}
O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#4874
Ir(3)
donors: {"N": 5}
O=C(Cn1c(-c2cscn2)nc2ccccc21)c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
2 meas.
MOL
3D
#4873
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1c[nH]c(-c2ncc[nH]2)n1
10 meas.
MOL
3D
#4872
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1c[nH]cn1.c1c[nH]cn1
9 meas.
MOL
3D
#4871
Ir(3)
donors: {"O": 1, "N": 6}
O=[N+]([O-])c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
11 meas.
MOL
3D
#4870
Ir(3)
donors: {"O": 1, "N": 6}
O=[N+]([O-])c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
7 meas.
MOL
3D
#4869
Ir(3)
donors: {"N": 6}
Clc1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
6 meas.
MOL
3D
#4868
Ir(3)
donors: {"N": 6}
Clc1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#4867
Ir(3)
donors: {"N": 3, "S": 1}
CCN(CC)C(=S)[S-].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#4866
Ir(3)
donors: {"S": 1, "N": 3}
S=C([S-])N1CCOCC1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#4865
Ir(3)
donors: {"S": 1, "N": 2}
CCOC(=S)[S-].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#4864
Ir(3)
donors: {"S": 1, "N": 2}
CC(C)OC(=S)[S-].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#4863
Ir(3)
donors: {"N": 6}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
2 meas.
MOL
3D
#4862
Ir(3)
donors: {"N": 4}
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3ccc([N-]C(=O)c4cc(N(C)C)ccn4)cc3)cc1)c1c(C)cc(C)n1[B-]2(F)F.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#4861
Ir(3)
donors: {"N": 3}
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3ccc([N-]C(=O)c4cc(C(F)(F)F)ccn4)cc3)cc1)c1c(C)cc(C)n1[B-]2(F)F.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#4860
Ir(3)
donors: {"N": 3}
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3ccc([N-]C(=O)c4ccccn4)cc3)cc1)c1c(C)cc(C)n1[B-]2(F)F.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#4859
Ir(3)
donors: {"N": 3}
CN(C)c1ccnc(C(=O)[N-]c2ccccc2)c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
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44/142 (7058 total)