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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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Ru
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#9114
Au(1)
donors: {"Cl": 1, "N": 6, "P": 2}
[Cl-].c1ccc(C[N+]23CN4CN(CP(C4)C2)C3)cc1.c1ccc(C[N+]23CN4CN(CP(C4)C2)C3)cc1
2 meas.
3D
#9113
Au(1)
donors: {"N": 1, "O": 2, "P": 1}
CN(C)C(=O)[O-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9112
Au(1)
donors: {"O": 6, "P": 2}
COc1ccccc1P(c1ccccc1OC)c1ccccc1OC.COc1ccccc1P(c1ccccc1OC)c1ccccc1OC
4 meas.
3D
#9111
Au(3)
donors: {"N": 4, "S": 1, "Cl": 2}
C/C(=N\NC(=S)Nc1ccc(C)cc1)c1ccccn1.[Cl-].[Cl-]
3 meas.
3D
#9110
Au(1)
donors: {"O": 5, "N": 2, "S": 1, "P": 1}
COC(=O)CNC(=O)[C@H](C[S-])NC(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9109
Au(1)
donors: {"N": 4, "O": 8, "F": 4}
CC[n+]1[c-]n(CCCCCOC(=O)/C=C/c2ccc(O)c(OC)c2)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.CC[n+]1[c-]n(CCCCCOC(=O)/C=C/c2ccc(O)c(OC)c2)...
2 meas.
3D
#9108
Au(1)
donors: {"O": 3, "Cl": 1, "P": 1}
[C-]#CCOc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9107
Au(1)
donors: {"N": 2, "Cl": 1, "P": 1}
Cn1[c-][n+](C)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
11 meas.
3D
#9106
Au(1)
donors: {"O": 2, "N": 4, "P": 1, "S": 1}
O=C(O)Cc1ccc(CC[N+]23CN4CN(CP(C4)C2)C3)cc1.[S-]c1ccccn1
2 meas.
3D
#9105
Au(1)
donors: {"N": 3, "F": 2}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#Cc1ccccn1
1 meas.
3D
#9104
Au(3)
donors: {"N": 4, "Cl": 2}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.[Cl-].[Cl-]
3 meas.
3D
#9103
Au(1)
donors: {"O": 2, "N": 5, "P": 1, "S": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[S-]c1ncccn1
2 meas.
3D
#9102
Au(1)
donors: {"N": 3, "O": 1, "Cl": 2, "Br": 1, "S": 1}
C[n+]1[c-]n(CC(O)c2ccccc2)c(Cl)c1Cl.Cc1ccc(C)c2c1c1cc(Br)ccc1n2CCCCCCCCC[S-]
3 meas.
3D
#9101
Au(1)
donors: {"N": 2, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccccc2)c1.[Cl-]
4 meas.
3D
#9100
Au(1)
donors: {"P": 3, "Cl": 1}
C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Cl-]
2 meas.
3D
#9099
Au(1)
donors: {"O": 1, "N": 4, "Cl": 1, "P": 1}
C=CCOc1nc(Cl)nc2[n-]cnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9098
Au(1)
donors: {"N": 5, "P": 1, "O": 2}
CN(C)c1cccc(N(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.O=[N+]([O-])c1cc2cccnc2c2ncccc12
2 meas.
3D
#9097
Au(1)
donors: {"P": 1, "N": 1, "O": 1}
C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.[C-]#Cc1ccc(/C=N/c2ccccc2O)cc1
2 meas.
3D
#9096
Au(1)
donors: {"N": 2, "O": 2, "P": 1}
CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[n-]c2ccccc12.CCP(CC)CC
3 meas.
3D
#9095
Au(3)
donors: {"N": 5, "Cl": 1}
CC(C)(C)c1cc(-c2cccc(-c3cc(C(C)(C)C)[nH]n3)n2)n[nH]1.[Cl-]
8 meas.
3D
#9094
Au(1)
donors: {"N": 3, "Cl": 1}
Cc1cc(C)c(Cn2[c-][n+](CCN(C(C)C)C(C)C)c3ccccc32)c(C)c1.[Cl-]
4 meas.
3D
#9093
Au(1)
donors: {"O": 3, "S": 2, "P": 1, "N": 2}
O=S(=O)([O-])c1cccc(P(c2ccccc2)c2ccccc2)c1.[S-]c1nc2ccccc2[nH]1
2 meas.
3D
#9092
Au(3)
donors: {"O": 6, "N": 3, "S": 2}
COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C1CCN(C(=S)[S-])CC1.[c-]1ccccc1Cc1ccccn1
4 meas.
3D
#9091
Au(1)
donors: {"N": 2, "S": 1, "P": 1}
CN(C)/C([S-])=N/c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#9090
Au(1)
donors: {"N": 2, "F": 2, "Cl": 1}
CCn1[c-][n+](CCc2ccccc2)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[Cl-]
3 meas.
3D
#9089
Au(1)
donors: {"N": 4, "S": 1, "O": 2, "P": 1}
N#C[S-].O=C(O)c1ccc(C[N+]23CN4CN(CP(C4)C2)C3)cc1
2 meas.
3D
#9088
Au(3)
donors: {"N": 4, "Cl": 2}
C1=CCc2nc3c4cccnc4c4ncccc4c3nc2C1.[Cl-].[Cl-]
2 meas.
3D
#9087
Ir(3)
donors: {"N": 7, "O": 1}
[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1cnc2c(c1)c1nc(-c3ccc(N4CCOCC4)cc3)[nH]c1c1cccnc12
2 meas.
3D
#9086
Au(1)
donors: {"O": 4, "S": 1, "N": 1, "P": 1}
COC(=O)[C@@H]1C[C@H]([S-])CN1C(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9085
Au(1)
donors: {"N": 2, "O": 4, "Br": 1}
CCn1[c-][n+](CCCCCOc2ccc([C@@H]3COc4c(ccc5c4C=CC(C)(C)O5)C3)c(O)c2)cc1.[Br-]
3 meas.
3D
#9084
Au(3)
donors: {"Cl": 2, "S": 1, "N": 1}
[Cl-].[Cl-].[c-]1ccccc1Sc1ccccn1
10 meas.
3D
#9083
Au(1)
donors: {"N": 4}
CCN1[C-]=[N+](CC)[C@@H](c2ccccc2)[C@@H]1c1ccccc1.CCN1[C-]=[N+](CC)[C@H](c2ccccc2)[C@H]1c1ccccc1
2 meas.
3D
#9082
Au(3)
donors: {"N": 2, "Cl": 1, "O": 1, "Br": 3}
CCn1[c-][n+](CC)c(-c2ccc(Cl)cc2)c1-c1ccc(OC)cc1.[Br-].[Br-].[Br-]
4 meas.
3D
#9081
Au(1)
donors: {"N": 4, "S": 1}
CC(C)N1CCN(C(C)C)C1=S.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1
3 meas.
3D
#9080
Au(1)
donors: {"N": 3, "S": 3, "O": 2}
C#CCn1[c-][n+](Cc2ccccc2)cc1.Cc1ccc(S(=O)(=O)NC(=S)[S-])cc1
1 meas.
3D
#9079
Au(1)
donors: {"N": 4}
CC(C)n1[c-][n+](C(C)C)c2ccccc21.CC(C)n1[c-][n+](C(C)C)c2ccccc21
3 meas.
3D
#9078
Au(1)
donors: {"N": 2, "Cl": 1}
Cc1cccc(C)c1-n1[c-][n+](-c2c(C)cccc2C)cc1.[Cl-]
2 meas.
3D
#9077
Au(1)
donors: {"N": 1, "S": 2, "P": 1}
CCCCCCCCCCN1CCSC1=S.CCP(CC)CC
3 meas.
3D
#9076
Au(1)
donors: {"N": 2, "Cl": 1}
CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=[Se].[Cl-]
7 meas.
3D
#9075
Au(1)
donors: {"N": 4, "Br": 2}
CCn1[c-][n+](CC)c(Br)c1.CCn1[c-][n+](CC)c(Br)c1
4 meas.
3D
#9074
Au(3)
donors: {"N": 2, "O": 4, "Cl": 2}
C[C@H](NCCN[C@@H](C)C(=O)OC1CCCC1)C(=O)OC1CCCC1.[Cl-].[Cl-]
4 meas.
3D
#9073
Au(1)
donors: {"O": 1, "N": 4, "P": 1}
c1ccc(COc2ncnc3[n-]cnc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
9 meas.
3D
#9072
Au(1)
donors: {"O": 2, "N": 3, "P": 1, "Br": 1}
COC(=O)C[N+]12CN3CN(CP(C3)C1)C2.[Br-]
2 meas.
3D
#9071
Au(1)
donors: {"N": 2, "O": 1, "S": 1}
CC(C)n1[c-][n+](C(C)C)c2ccccc21.O=C([S-])c1ccccc1
1 meas.
3D
#9070
Ir(3)
donors: {"O": 2, "N": 7, "S": 1, "F": 9}
COC(=O)c1ccc2c(c1)nc(-c1nc3ccccc3s1)n2Cc1ccc(C(F)(F)F)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.FC(F)(F)c1ccc(C...
4 meas.
3D
#9069
Au(1)
donors: {"N": 4, "I": 1}
Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.Ic1c[n-]c2ncccc12
6 meas.
3D
#9068
Au(1)
donors: {"N": 16, "P": 4}
Cn1ccnc1P(CCCP(c1nccn1C)c1nccn1C)c1nccn1C.Cn1ccnc1P(CCCP(c1nccn1C)c1nccn1C)c1nccn1C
2 meas.
3D
#9067
Au(3)
donors: {"N": 3, "S": 2}
Cc1cc(C)nc([S-])c1.Cc1cc(C)nc([S-])c1.[c-]1ccccc1Cc1ccccn1
1 meas.
3D
#9066
Au(3)
donors: {"Cl": 2, "N": 4}
[Cl-].[Cl-].c1cnc2c(c1)c1nccnc1c1cccnc12
2 meas.
3D
#9065
Au(1)
donors: {"O": 4, "P": 1}
[C-]#CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.c1ccc(P(c...
4 meas.
3D
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7/189 (9414 total)