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Ir C^N families
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D-MPNN
Coordination Complexes
9414 complexes in database
9414
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4834
Ru
2220
Au
1431
Ir
339
Rh
337
Os
253
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Metal
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#964
Ru(2)
Cc1c(C)c(C)[c-](C)c1C.Cc1ccccc1
41 meas.
MOL
3D
#963
Ru(3)
donors: {"N": 1, "O": 1}
CCOC(=O)C(C)NCc1cccc(OC)c1[O-].O.[Cl-].[Cl-]
3 meas.
MOL
3D
#962
Ru(3)
donors: {"N": 1, "O": 1}
COC(=O)C(C)NCc1cccc(OC)c1[O-].O.[Cl-].[Cl-]
3 meas.
MOL
3D
#961
Ru(3)
donors: {"N": 1, "O": 1}
CCOC(=O)C(NCc1cccc(OC)c1[O-])C(C)C.O.[Cl-].[Cl-]
3 meas.
MOL
3D
#960
Ru(3)
donors: {"N": 1, "O": 1}
COC(=O)C(NCc1cccc(OC)c1[O-])C(C)C.O.[Cl-].[Cl-]
3 meas.
MOL
3D
#959
Ru(3)
donors: {"N": 1, "O": 1}
CCOC(=O)C(Cc1ccccc1)NCc1cccc(OC)c1[O-].O.[Cl-].[Cl-]
3 meas.
MOL
3D
#958
Ru(3)
donors: {"N": 1, "O": 1}
COC(=O)C(Cc1ccccc1)NCc1cccc(OC)c1[O-].O.[Cl-].[Cl-]
3 meas.
MOL
3D
#957
Ru(3)
donors: {"N": 1, "O": 1}
CCOC(=O)C(NCc1cccc(OC)c1[O-])C(C)CC.O.[Cl-].[Cl-]
3 meas.
MOL
3D
#956
Ru(3)
donors: {"N": 1, "O": 1}
CCC(C)C(NCc1cccc(OC)c1[O-])C(=O)OC.O.[Cl-].[Cl-]
3 meas.
MOL
3D
#955
Ru(3)
donors: {"N": 1, "O": 1}
CCOC(=O)C(CC(C)C)NCc1cccc(OC)c1[O-].O.[Cl-].[Cl-]
3 meas.
MOL
3D
#954
Ru(3)
donors: {"N": 1, "O": 1}
COC(=O)C(CC(C)C)NCc1cccc(OC)c1[O-].O.[Cl-].[Cl-]
3 meas.
MOL
3D
#953
Ru(3)
donors: {"N": 2, "O": 1}
CCOC(=O)C(Cc1c[nH]c2ccccc12)NCc1cccc(OC)c1[O-].O.[Cl-].[Cl-]
3 meas.
MOL
3D
#952
Ru(3)
donors: {"N": 2, "O": 1}
COC(=O)C(Cc1c[nH]c2ccccc12)NCc1cccc(OC)c1[O-].O.[Cl-].[Cl-]
3 meas.
MOL
3D
#951
Ru(2)
donors: {"N": 1, "O": 1, "P": 1}
O=C(c1ccccc1)c1ccccn1.[C-]#[O+].[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#950
Ru(2)
donors: {"O": 2, "N": 3, "P": 1}
[C-]#[O+].[Cl-].[O-]/C(=N\N=C(/c1ccccc1)c1ccccn1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#949
Ru(3)
donors: {"O": 1, "N": 3, "P": 1}
[Cl-].[Cl-].[O-]/C(=N\N=C(/c1ccccc1)c1ccccn1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#948
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccc(O)c(/C([O-])=N/c2ncc(C)s2)c1.[Cl-]
4 meas.
MOL
3D
#947
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1cnc(/N=C(\[O-])c2ccccc2O)s1.[Cl-]
4 meas.
MOL
3D
#946
Ru(2)
donors: {"N": 4}
C/C(=N\NC(N)=S)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#945
Ru(2)
donors: {"N": 4}
CNC(=S)N/N=C(\C)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#944
Ru(2)
donors: {"N": 4}
C/C(=N\NC(=S)Nc1ccccc1)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#943
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
C=CCSC[C@H](N)C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#942
Ru(2)
donors: {"S": 1, "N": 3, "O": 1, "P": 2}
CC(C)([S-])[C@H](N)C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#941
Ru(2)
donors: {"N": 3, "S": 1, "O": 1, "P": 2}
N[C@@H](C[S-])C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#940
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1cc2ccccc2cc1/C=N/c1nccs1
5 meas.
MOL
3D
#939
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1cnc(/N=C/c2cc3ccccc3cc2[O-])s1.[Cl-]
5 meas.
MOL
3D
#938
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
O=c1nc([O-])c(F)c[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
37 meas.
MOL
3D
#937
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(CN(Cc2ccccn2)c2cc3cccnc3c3nc...
3 meas.
MOL
3D
#936
Ru(2)
donors: {"S": 2, "N": 2, "P": 2}
O=C(O)c1ccc([S-])nc1.O=C(O)c1ccc([S-])nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#935
Ru(2)
donors: {"N": 4, "S": 1, "P": 1}
Nc1cc(N)nc([S-])n1.Nc1cc(N)nc([S-])n1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#934
Ru(2)
donors: {"N": 4, "S": 2, "P": 2}
Cn1ccnc1[S-].Cn1ccnc1[S-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#933
Ru(2)
donors: {"S": 2, "N": 2, "P": 2}
[S-]C1=NCCS1.[S-]C1=NCCS1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#932
Ru(2)
donors: {"N": 3}
COc1ccc(CNC(=S)N/N=C\c2ccc(O)cc2F)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#931
Ru(2)
donors: {"N": 3}
COc1ccc(CNC(=S)N/N=C(/C)c2ccc(O)c(OC)c2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#930
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.N[C@@H](CO)C(=O)[O-]
3 meas.
MOL
3D
#929
Ru(2)
donors: {"O": 2, "N": 1}
CC([O-])[C@H](N)C(=O)[O-].Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#928
Ru(2)
donors: {"N": 1, "O": 2}
Cc1ccc(C(C)C)cc1.N[C@@H](C[O-])C(=O)[O-]
3 meas.
MOL
3D
#927
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.O=C([O-])[C@@H]1C[C@@H](O)CN1.[N-]=[N+]=[N-]
3 meas.
MOL
3D
#926
Ru(2)
donors: {"N": 2, "S": 1, "O": 1}
Cc1ccc(C(C)C)cc1.N#C[S-].O=C([O-])[C@@H]1C[C@@H](O)CN1
3 meas.
MOL
3D
#925
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.O=C([O-])[C@@H]1CCCN1.[N-]=[N+]=[N-]
3 meas.
MOL
3D
#924
Ru(2)
donors: {"N": 2, "S": 1, "O": 1}
Cc1ccc(C(C)C)cc1.N#C[S-].O=C([O-])[C@@H]1CCCN1
3 meas.
MOL
3D
#923
Ru(2)
donors: {"N": 3, "O": 1}
C=C[CH2+].O=C(NCCOCCOCCN1C(=O)C=CC1=O)c1ccc([O-])c2ncccc12.c1cc[cH-]c1
4 meas.
MOL
3D
#922
Ru(2)
donors: {"O": 1, "N": 4}
COc1cc([O-])c(C(C)=O)c(OC)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
45 meas.
MOL
3D
#921
Ru(2)
donors: {"N": 4}
COc1cc(/C=C/C(=C/C(/C=C/c2ccc(O)c(OC)c2)=N/NC(=O)c2cccs2)[N-]NC(=O)c2cccs2)ccc1O.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#920
Ru(2)
donors: {"N": 4}
COc1cc(/C=C/C(=C/C(/C=C/c2ccc(O)c(OC)c2)=N/NC(=O)c2ccco2)[N-]NC(=O)c2ccco2)ccc1O.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#919
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=C(OC[C@H]1O[C@@H](n2cc(-c3ccc4ccccc4n3)nn2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1...
5 meas.
MOL
3D
#918
Ru(2)
donors: {"N": 8}
Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.c1c[nH]c(-c2ncc[nH]2)n1
1 meas.
MOL
3D
#917
Ru(3)
donors: {"N": 5}
CC(C)(C)c1cc(-c2cccc(-c3cc(C(C)(C)C)[nH]n3)n2)n[nH]1.[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#916
Ru(2)
donors: {"N": 2}
CC(=O)OC[C@H]1O[C@@H](CCC/N=C/C=N/CCC[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@...
4 meas.
MOL
3D
#915
Ru(2)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.OC[C@H]1O[C@@H](CCC/N=C/C=N/CCC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O...
4 meas.
MOL
3D
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