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complexes
Ir C^N families
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D-MPNN
Coordination Complexes
9414 complexes in database
9414
Total
4834
Ru
2220
Au
1431
Ir
339
Rh
337
Os
253
Re
Metal
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Au
Ir
Os
Re
Rh
Ru
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#8964
Au(1)
donors: {"S": 1, "N": 2, "P": 1}
[S-]/C(=N\c1ccccc1)N1CCCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#8963
Au(1)
donors: {"O": 2, "N": 5, "P": 1, "S": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[C-]#CCSc1ncccn1
2 meas.
3D
#8962
Au(1)
donors: {"P": 4}
c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
8 meas.
3D
#8961
Au(1)
donors: {"N": 2, "Br": 1, "Cl": 1}
CCn1[c-][n+](CC)c(Br)c1.[Cl-]
4 meas.
3D
#8960
Au(1)
donors: {"N": 4, "S": 1, "P": 1}
Cn1nnnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8959
Au(1)
donors: {"P": 1, "Br": 1}
CCP(CC)CC.[Br-]
17 meas.
3D
#8958
Au(1)
donors: {"N": 4}
CCn1[c-][n+](CC)c2ccccc21.[c-]1c2c(n3[n+]1CCCC3)CCCC2
1 meas.
3D
#8957
Au(3)
donors: {"N": 3, "O": 1}
CC(C)(c1[c-]cccc1)c1cccc(-c2ccccn2)n1.CC([NH-])=O
1 meas.
3D
#8956
Au(1)
donors: {"Br": 2, "N": 2, "Cl": 1}
Brc1ccccc1-n1[c-][n+](-c2ccccc2Br)c2c1-c1cccc3cccc-2c13.[Cl-]
1 meas.
3D
#8955
Au(1)
donors: {"N": 2, "Cl": 1}
Cn1[c-][n+](C)cc1.[Cl-]
9 meas.
3D
#8954
Au(3)
donors: {"N": 2, "Cl": 3}
CCCCc1ccc2ccc3ccc(CCCC)nc3c2n1.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#8953
Au(1)
donors: {"O": 9, "S": 3, "P": 1, "N": 3}
O=S(=O)([O][Na])c1cccc(P(c2cccc(S(=O)(=O)[O][Na])c2)c2cccc(S(=O)(=O)[O][Na])c2)c1.[N-]=[N+]=[N-]
3 meas.
3D
#8952
Au(1)
donors: {"N": 3, "Cl": 1}
[C-](\NCc1ccccn1)=[NH+]\c1ccc2ccccc2c1.[Cl-]
3 meas.
3D
#8951
Au(1)
donors: {"N": 4, "S": 1, "O": 3, "Cl": 1}
CNC(=S)NN=Cc1ccc([N+](=O)[O-])o1.[Cl-]
5 meas.
3D
#8950
Au(1)
donors: {"O": 6, "N": 2, "S": 2}
O=C1[N-]S(=O)(=O)c2ccccc21.O=C1[N-]S(=O)(=O)c2ccccc21
6 meas.
3D
#8949
Au(3)
donors: {"N": 2, "S": 2}
CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.CCCCN(CCCC)C(=S)[S-]
6 meas.
3D
#8948
Au(1)
donors: {"N": 6}
CCN(CC)c1ccc(-n2[c-][n+](Cc3ccccc3)cc2)cc1.CCN(CC)c1ccc(-n2[c-][n+](Cc3ccccc3)cc2)cc1
3 meas.
3D
#8947
Au(1)
donors: {"N": 2, "Cl": 1}
CCCCCCCCCCCCCCCCCC[n+]1[c-]n(CCC)cc1.[Cl-]
2 meas.
3D
#8946
Au(1)
donors: {"N": 6}
Cc1cccc(-[n+]2[c-]n3ccccc3c2)n1.Cc1cccc(-[n+]2[c-]n3ccccc3c2)n1
12 meas.
3D
#8945
Au(3)
donors: {"Cl": 2, "N": 2}
[Cl-].[Cl-].[c-]1ccccc1Nc1ccccn1
10 meas.
3D
#8944
Ir(3)
donors: {"N": 11, "O": 2, "Cl": 2}
Cc1nc2ccccc2nc1-c1[c-]cccc1.Cc1nc2ccccc2nc1-c1[c-]cccc1.O=C(CCCn1c(-c2ccccn2)nc2ccccc21)NCCCCCCNC(=O)c1nn(Cc2ccc(Cl)cc2C...
1 meas.
3D
#8943
Au(1)
donors: {"N": 4, "O": 8}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1cc(OC)c(OC)c(OC)c1.CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1cc(OC)c(OC)c(OC)c1
7 meas.
3D
#8942
Au(3)
donors: {"O": 1, "N": 1, "Cl": 1, "P": 2}
O=C(c1[c-]cccc1)c1ccccn1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#8941
Au(3)
donors: {"N": 4, "O": 4, "I": 2}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[I-].[I-]
3 meas.
3D
#8940
Ir(3)
donors: {"N": 10, "S": 4, "O": 4}
NS(=O)(=O)c1ccc(CCNCc2c[c-]c(-c3ccccn3)cc2)cc1.NS(=O)(=O)c1ccc(CCNCc2c[c-]c(-c3ccccn3)cc2)cc1.c1ccc2sc(-c3ccnc(-c4cc(-c5...
5 meas.
3D
#8939
Au(1)
donors: {"N": 2, "S": 1, "O": 1, "P": 1}
CCCCCCCCCCCCCc1nnc([S-])o1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8938
Au(3)
donors: {"N": 5, "S": 2, "O": 1, "Cl": 1}
CCN(CC)C(=S)NC([N-]/N=C(\[S-])N1CCOCC1)c1ccccc1.[Cl-]
1 meas.
3D
#8937
Au(1)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.[C-]#CCO
2 meas.
3D
#8936
Au(1)
donors: {"N": 1, "O": 1, "P": 1}
[C-]#Cc1ccc(/C=N/c2ccc(O)cc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8935
Au(1)
donors: {"N": 4, "S": 1, "O": 4, "P": 1}
Bc1nc([S-])c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
12 meas.
3D
#8934
Au(1)
donors: {"N": 2, "O": 2, "S": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.O=C(O)c1ccc([S-])cc1
6 meas.
3D
#8933
Au(3)
donors: {"Cl": 2, "N": 2}
[Cl-].[Cl-].c1ccc(-c2ccccn2)nc1
2 meas.
3D
#8932
Au(1)
donors: {"O": 3, "N": 2, "S": 1, "P": 1}
O=C(O)CNC(=O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#8931
Au(3)
donors: {"O": 1, "N": 1, "Cl": 2}
OCc1ccccn1.[Cl-].[Cl-]
2 meas.
3D
#8930
Au(3)
donors: {"O": 2, "N": 1, "S": 2, "Cl": 2}
COC(=O)CN(C)C(=S)[S-].[Cl-].[Cl-]
2 meas.
3D
#8929
Au(1)
donors: {"N": 5, "F": 3, "O": 2, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
3 meas.
3D
#8928
Au(3)
donors: {"N": 2, "S": 8}
CCCn1c([S-])c([S-])sc1=S.CCCn1c([S-])c([S-])sc1=S
12 meas.
3D
#8927
Au(3)
donors: {"N": 2, "S": 2}
CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.S=C([S-])N1CCCC1
6 meas.
3D
#8926
Au(1)
donors: {"N": 2, "Br": 1}
Cn1[c-][n+](Cc2ccccc2)cc1.[Br-]
12 meas.
3D
#8925
Au(1)
donors: {"N": 4, "S": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.CNC(=S)NC
3 meas.
3D
#8924
Au(1)
donors: {"O": 9, "S": 3, "P": 1, "N": 1}
O=S(=O)([O-])c1ccc(P(c2ccc(S(=O)(=O)[O-])cc2)c2ccc(S(=O)(=O)[O-])cc2)cc1.[C-]#Cc1ccncc1
2 meas.
3D
#8923
Au(3)
donors: {"N": 2, "S": 4}
N#Cc1cccc([S-])c1[S-].N#Cc1cccc([S-])c1[S-]
5 meas.
3D
#8922
Au(1)
donors: {"P": 1, "N": 2}
CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
2 meas.
3D
#8921
Au(1)
donors: {"Cl": 1, "N": 2}
[Cl-].[c-]1c2c(n3[n+]1CCCC3)CCCC2
1 meas.
3D
#8920
Au(1)
donors: {"N": 1, "S": 2, "P": 1}
CCCCCCCCCCN1CCSC1=S.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8919
Au(3)
donors: {"O": 2, "S": 8, "N": 2}
OCCSc1nc([S-])c([S-])s1.OCCSc1nc([S-])c([S-])s1
1 meas.
3D
#8918
Au(1)
donors: {"N": 4, "O": 6, "S": 2}
CCn1[c-][n+](CC)c2ccccc21.COC1O[C@H](CNC(=O)C2CCN(C(=S)[S-])CC2)[C@@H](O)[C@H](O)[C@H]1O
3 meas.
3D
#8917
Au(1)
donors: {"N": 4, "O": 4, "Cl": 1}
CC(C)CC(NC(=O)Cn1[c-][n+](C)cc1)C(=O)NC(Cc1ccccc1)C(=O)O.[Cl-]
1 meas.
3D
#8916
Au(3)
donors: {"N": 2, "Cl": 3}
CCC(C)c1ccc2ccc3ccc(C(C)CC)nc3c2n1.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#8915
Au(1)
donors: {"N": 2, "Cl": 1}
CCCCn1[c-][n+](C)cc1.[Cl-]
2 meas.
3D
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10/189 (9414 total)