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D-MPNN
Coordination Complexes
7058 complexes in database
7058
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4834
Ru
1295
Ir
339
Rh
337
Os
253
Re
Metal
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Ru
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#5758
Ir(3)
donors: {"N": 7}
CN(C)C(=N)NC(=N)N.[c-]1c(-c2ccc3ccccc3n2)sc2ccccc12.[c-]1c(-c2ccc3ccccc3n2)sc2ccccc12
4 meas.
MOL
3D
#5757
Ir(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.Nc1ccnc(-c2cc(N)ccn2)c1.[Cl-]
2 meas.
MOL
3D
#5756
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Clc1ccnc(-c2cc(Cl)ccn2)c1.[Cl-]
2 meas.
MOL
3D
#5755
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.OCc1ccnc(-c2cc(CO)ccn2)c1.[Cl-]
2 meas.
MOL
3D
#5754
Ir(3)
donors: {"N": 2}
CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#5753
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccnc(-c2cc(C)ccn2)c1.[Cl-]
2 meas.
MOL
3D
#5752
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
2 meas.
MOL
3D
#5751
Ir(3)
donors: {"P": 1, "O": 1, "N": 3}
C=P([O-])(O)CCCNC(=O)c1ccnc(-c2cc(C(=O)NCCCP(=O)([O-])O)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
3 meas.
MOL
3D
#5750
Ir(3)
donors: {"N": 7}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2c3c4c(cccc4cc2c1)-c1nnc(-c2cnccn2)nc1-3
3 meas.
MOL
3D
#5749
Ir(3)
donors: {"N": 7}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2c(c1)ccc1nnc(-c3cnccn3)nc12
3 meas.
MOL
3D
#5748
Ir(3)
donors: {"N": 8}
CCOC(=O)c1ccnc(-c2[c-]cc(N(c3ccccc3)c3ccccc3)cc2)c1.CCOC(=O)c1ccnc(-c2[c-]cc(N(c3ccccc3)c3ccccc3)cc2)c1.Cc1nc(-c2ccccn2)...
1 meas.
MOL
3D
#5747
Ir(3)
donors: {"N": 7}
CCOC(=O)CCN(CCC(=O)OCC)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(O)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
2 meas.
MOL
3D
#5746
Ir(3)
donors: {"N": 6}
CCOC(=O)CCN(CCC(=O)OCC)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(O)c1.[c-]1cc(CN2CCOCC2)ccc1-c1ccccn1.[c-]1cc(CN2CCOCC2)ccc1...
2 meas.
MOL
3D
#5745
Ir(3)
donors: {"N": 7}
Oc1cc(N(CCCl)CCCl)ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
2 meas.
MOL
3D
#5744
Ir(3)
donors: {"N": 6}
Oc1cc(N(CCCl)CCCl)ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1cc(CN2CCOCC2)ccc1-c1ccccn1.[c-]1cc(CN2CCOCC2)ccc1-c1ccccn1
2 meas.
MOL
3D
#5743
Ir(3)
donors: {"N": 4}
Clc1ccnc2c1ccc1c(Cl)ccnc12.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
5 meas.
MOL
3D
#5742
Ir(3)
donors: {"N": 4}
Clc1ccnc2c1ccc1c(Cl)ccnc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
5 meas.
MOL
3D
#5741
Ir(3)
donors: {"N": 4}
Clc1ccnc2c1ccc1c(Cl)ccnc12.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
5 meas.
MOL
3D
#5740
Ir(3)
donors: {"N": 3}
COC(=O)c1ccc([N-]C(=O)c2cc(N3CCCC3)ccn2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5739
Ir(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.Nc1ccncc1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5738
Ir(3)
donors: {"N": 5}
Cc1c(C)c(C)[c-](C)c1C.ClCCN(CCCl)c1ccc(/N=N/c2ccncc2)cc1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5737
Ir(3)
donors: {"N": 5, "S": 1}
COc1cc(/C=N\N=C(\N)[S-])c(Br)c(Br)c1OC.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
5 meas.
MOL
3D
#5736
Ir(3)
donors: {"N": 5, "S": 1}
COc1cc(/C=N\N=C(\N)[S-])c(Br)c(Br)c1OC.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5735
Ir(3)
donors: {"N": 7, "S": 1}
COc1cc(/C=N\N=C(\N)[S-])c(Br)c(Br)c1OC.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
5 meas.
MOL
3D
#5734
Ir(3)
donors: {"N": 3}
N#[N+][N-]Cc1c[c-]c(C2=NCCO2)cc1.[Cl-].c1cc[cH-]c1
5 meas.
MOL
3D
#5733
Ir(3)
donors: {"N": 3}
CC1(C)COC(c2[c-]cc(C[N-][N+]#N)cc2)=N1.[Cl-].c1cc[cH-]c1
5 meas.
MOL
3D
#5732
Ir(3)
donors: {"N": 1}
CC1(C)COC(c2[c-]cccc2)=N1.[Cl-].c1cc[cH-]c1
5 meas.
MOL
3D
#5731
Ir(3)
donors: {"N": 3}
CC#N.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Cl-]
1 meas.
MOL
3D
#5730
Ir(3)
donors: {"S": 1, "O": 1, "N": 2}
CS(C)=O.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Cl-]
1 meas.
MOL
3D
#5729
Ir(3)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccccc1-c1nc2ccccc2s1.c1cc[cH-]c1
4 meas.
MOL
3D
#5728
Ir(3)
donors: {"O": 1, "N": 2}
[Cl-].[O-]c1ccccc1-c1nc2ccccc2[nH]1.c1cc[cH-]c1
4 meas.
MOL
3D
#5727
Ir(3)
donors: {"N": 2}
Nc1ccccc1-c1nc2ccccc2s1.[Cl-].c1cc[cH-]c1
4 meas.
MOL
3D
#5726
Ir(3)
donors: {"N": 3}
Nc1ccccc1-c1nc2ccccc2[nH]1.[Cl-].c1cc[cH-]c1
4 meas.
MOL
3D
#5725
Ir(3)
donors: {"N": 3}
Cn1c(-c2ccccn2)nc2ccccc21.[Cl-].c1cc[cH-]c1
4 meas.
MOL
3D
#5724
Ir(3)
donors: {"N": 3}
[Cl-].c1cc[cH-]c1.c1ccc(-c2nc3ccccc3[nH]2)nc1
4 meas.
MOL
3D
#5723
Ir(3)
donors: {"N": 2}
Cn1c(-c2[c-]cccc2)nc2ccccc21.[Cl-].c1cc[cH-]c1
4 meas.
MOL
3D
#5722
Ir(3)
donors: {"N": 2}
[Cl-].[c-]1ccccc1-c1nc2ccccc2[nH]1.c1cc[cH-]c1
4 meas.
MOL
3D
#5721
Ir(3)
donors: {"N": 2}
[Cl-].c1ccc(-c2ccc(-[c-]3cccc3)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
2 meas.
MOL
3D
#5720
Ir(3)
donors: {"N": 2}
[Cl-].c1ccc(-[c-]2cccc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
2 meas.
MOL
3D
#5719
Ir(3)
donors: {"N": 2}
[Cl-].c1cc[cH-]c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
2 meas.
MOL
3D
#5718
Ir(3)
donors: {"N": 2}
Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.[Cl-].c1cc[cH-]c1
2 meas.
MOL
3D
#5717
Ir(3)
donors: {"N": 2}
Cc1ccc2ccc3ccc(C)nc3c2n1.[Cl-].c1cc[cH-]c1
2 meas.
MOL
3D
#5716
Ir(3)
donors: {"N": 2}
[Cl-].c1cc[cH-]c1.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#5715
Ir(3)
donors: {"N": 6}
CS(=O)(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
5 meas.
MOL
3D
#5714
Ir(3)
donors: {"N": 6}
CS(=O)(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5713
Ir(3)
donors: {"S": 1, "N": 3}
S=C([S-])N1CCOCC1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
3 meas.
MOL
3D
#5712
Ir(3)
donors: {"N": 3, "S": 1}
CCN(CC)C(=S)[S-].[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
3 meas.
MOL
3D
#5711
Ir(3)
donors: {"S": 1, "N": 2}
COC(=S)[S-].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5710
Ir(3)
donors: {"N": 4}
Cc1ccnc(-c2cc(CO)ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
3 meas.
MOL
3D
#5709
Ir(3)
donors: {"N": 4, "O": 2}
Cc1ccnc(-c2cc(COC(=O)c3ccccc3Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2cc...
3 meas.
MOL
3D
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