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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
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Metal
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#8164
Au(1)
donors: {"O": 2, "N": 2}
CC(=O)[CH-]C(C)=O.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1
4 meas.
3D
#8163
Au(1)
donors: {"N": 2, "F": 2, "Br": 1}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[Br-]
6 meas.
3D
#8162
Au(1)
donors: {"O": 5, "N": 4}
CC(=O)[O-].Cn1c(=O)c2c(n(C)[c-][n+]2CC(O)c2ccccc2)n(C)c1=O
3 meas.
3D
#8161
Au(1)
donors: {"O": 5, "N": 3, "P": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[C-]#CCOc1ccc2ccc(=O)oc2c1
2 meas.
3D
#8160
Ir(3)
donors: {"N": 4, "S": 2}
[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.c1ccc(-c2ccccn2)nc1
5 meas.
3D
#8159
Ir(3)
donors: {"N": 6, "S": 1, "F": 4}
Cc1ccnc(-c2cc(/C=C(\C#N)c3ccc(N4c5ccccc5Sc5ccccc54)cc3)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
2 meas.
3D
#8158
Au(1)
donors: {"N": 2, "F": 2, "Br": 1}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#Cc1ccc(Br)cc1
1 meas.
3D
#8157
Au(1)
donors: {"O": 4, "N": 3, "Cl": 1}
O=C1c2cccc3c(N4[C-]=[N+](Cc5ccccc5)CC4)ccc(c23)C(=O)N1CCOCCO.[Cl-]
4 meas.
3D
#8156
Au(1)
donors: {"N": 3, "S": 1, "O": 1, "P": 1}
NC(=S)N/N=C/c1ccco1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8155
Au(1)
donors: {"O": 2, "N": 5, "P": 1, "S": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[S-]c1nc2ccccc2[nH]1
2 meas.
3D
#8154
Au(1)
donors: {"N": 4, "S": 1}
Cn1[c-][n+](C(c2ccccc2)c2ccccc2)cc1.[S-]c1ncccn1
2 meas.
3D
#8153
Au(3)
donors: {"N": 3, "Cl": 3}
CCCCn1[c-][n+](Cc2ccccc2C#N)cc1.[Cl-].[Cl-].[Cl-]
5 meas.
3D
#8152
Au(1)
donors: {"N": 2, "Cl": 1}
Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.[Cl-]
9 meas.
3D
#8151
Au(1)
donors: {"N": 2, "O": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.[CH2-]C(C)=O
4 meas.
3D
#8150
Au(3)
donors: {"O": 2, "N": 3, "S": 2}
Oc1cccnc1-c1ncccc1O.S=C([S-])N(Cc1ccccc1)Cc1ccccc1
9 meas.
3D
#8149
Au(3)
donors: {"O": 4, "N": 1}
O=C([O-])C1(C(=O)[O-])CCC1.[c-]1ccccc1-c1ccccn1
2 meas.
3D
#8148
Au(1)
donors: {"O": 1, "S": 1, "N": 2}
O=C([S-])c1ccccc1.[c-]1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1
1 meas.
3D
#8147
Au(3)
donors: {"N": 5, "S": 2, "O": 1, "Cl": 1}
CCN(CC)C(=S)/N=C(\[N-]/N=C(\[S-])N1CCOCC1)c1ccccc1.[Cl-]
4 meas.
3D
#8146
Au(1)
donors: {"N": 3, "O": 2, "S": 1, "P": 1}
CC(C)NC(=O)[C@@H]1CCCN1C(=O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#8145
Au(1)
donors: {"S": 1, "N": 1, "P": 1, "Cl": 1}
Sc1ccccc1CCN=Cc1ccccc1P(c1ccccc1)c1ccccc1.[Cl-]
13 meas.
3D
#8144
Au(3)
donors: {"Cl": 2, "N": 2, "O": 1}
[Cl-].[Cl-].[NH-]C(=O)c1ccccn1
2 meas.
3D
#8143
Au(1)
donors: {"N": 4}
[c-]1c2c(n3[n+]1CCCC3)CCCC2.[c-]1c2c(n3[n+]1CCCC3)CCCC2
1 meas.
3D
#8142
Au(3)
donors: {"N": 1}
Cc1c[c-]c(-c2ccccn2)cc1.[C-]#Cc1ccc(C)cc1.[C-]#Cc1ccc(C)cc1
1 meas.
3D
#8141
Au(1)
donors: {"N": 4}
[c-]1n(C23CC4CC(CC(C4)C2)C3)cc[n+]1C12CC3CC(CC(C3)C1)C2.c1cn[n-]c1
4 meas.
3D
#8140
Au(1)
donors: {"N": 6, "O": 3}
CCn1[c-][n+](CC)cc1.[C-]#Cc1ccc(Nc2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)cc1
2 meas.
3D
#8139
Au(1)
donors: {"O": 2, "N": 5, "P": 1, "S": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[C-]#CCSc1nc(C)cc(C)n1
2 meas.
3D
#8138
Au(1)
donors: {"S": 1, "N": 4, "P": 1}
[S-]c1ncnc2[nH]cnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
11 meas.
3D
#8137
Au(1)
donors: {"S": 1, "N": 2, "Cl": 1}
CSc1ccc(-n2[c-][n+](Cc3ccccc3)cc2)cc1.[Cl-]
5 meas.
3D
#8136
Au(1)
donors: {"N": 2, "F": 2}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#Cc1ccccc1
1 meas.
3D
#8135
Au(3)
donors: {"S": 2, "N": 6}
[S-]/C(=N\N=C(C(=N\N=C(/[S-])NC1CCCCC1)\c1ccccc1)/c1ccccc1)NC1CCCCC1
3 meas.
3D
#8134
Au(1)
donors: {"O": 2, "N": 2}
CCO[C@H]1[C@H](OCC)[N+](c2c(C(C)C)cccc2C(C)C)=[C-]N1c1c(C(C)C)cccc1C(C)C.[c-]1ccccc1
4 meas.
3D
#8133
Au(1)
donors: {"N": 8, "O": 4, "F": 6}
Cn1c(=O)c2c(n(C)c1=O)[n+](Cc1ccc(C(F)(F)F)cc1)[c-]n2C.Cn1c(=O)c2c(n(C)c1=O)[n+](Cc1ccc(C(F)(F)F)cc1)[c-]n2C
5 meas.
3D
#8132
Au(1)
donors: {"N": 1, "P": 1}
[C-]#CCN(Cc1ccccc1)C(C)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#8131
Au(3)
donors: {"N": 4}
C1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([n-]3)c2-c2ccccc2)C=C1
48 meas.
3D
#8130
Au(1)
donors: {"N": 4, "S": 1, "P": 1}
NC(=S)N/N=C/c1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8129
Au(1)
donors: {"S": 1, "N": 5, "P": 1}
[S-]c1ccccn1.c1ccc(P(Nc2nc[nH]n2)c2ccccc2)cc1
2 meas.
3D
#8128
Au(1)
donors: {"N": 2, "P": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8127
Au(1)
donors: {"N": 4}
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
2 meas.
3D
#8126
Au(1)
donors: {"O": 10, "S": 1, "N": 2}
CC(=O)OC[C@H]1O[C@@H]([S-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.OCCn1[c-][n+](Cc2c3ccccc3cc3ccccc23)cc1
4 meas.
3D
#8125
Au(1)
donors: {"N": 3, "Cl": 1}
[C-](\NCc1ccccn1)=[NH+]\C1CCCCC1.[Cl-]
3 meas.
3D
#8124
Au(1)
donors: {"N": 4, "S": 1}
C(=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1)c1ccncc1.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1
3 meas.
3D
#8123
Au(1)
donors: {"N": 2, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccccc2)c1-c1c2ccccc2cc2ccccc12.[Cl-]
6 meas.
3D
#8122
Au(1)
donors: {"N": 7, "O": 2, "S": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.O=[N+]([O-])c1ccccc1CSc1ncnc2[n-]cnc12
5 meas.
3D
#8121
Au(1)
donors: {"N": 2, "F": 2, "P": 1}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8120
Au(1)
donors: {"O": 18, "S": 2, "N": 2, "Cl": 1}
CC(=O)OC[C@H]1O[C@@H](Sc2cc(C(C)C)c(N3[C-]=[N+](c4c(C(C)C)cc(S[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5...
4 meas.
3D
#8119
Au(1)
donors: {"O": 11, "S": 1, "P": 1}
CC(=O)OC[C@H]1O[C@@H]([S-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.O=C(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
3D
#8118
Au(1)
donors: {"N": 3, "P": 1, "Cl": 1}
C1N2CN3CN1CP(C2)C3.[Cl-]
5 meas.
3D
#8117
Au(1)
donors: {"N": 8}
C[n+]1[c-]n(Cc2ccc(-c3ccccn3)nc2)cc1.C[n+]1[c-]n(Cc2ccc(-c3ccccn3)nc2)cc1
5 meas.
3D
#8116
Au(3)
donors: {"O": 3, "N": 4}
O=C(O)COc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)cc1
5 meas.
3D
#8115
Au(1)
donors: {"N": 2, "Cl": 1}
CC(C)n1[c-][n+](C(C)C)cc1.[Cl-]
3 meas.
3D
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26/189 (9414 total)