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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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Au
Ir
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Re
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Ru
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#9214
Au(1)
donors: {"P": 1, "Cl": 1}
CP(C)C.[Cl-]
4 meas.
3D
#9213
Au(1)
donors: {"N": 2, "O": 2}
CCn1[c-][n+](CC)c2ccccc21.[C-]#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C
4 meas.
3D
#9212
Au(1)
donors: {"O": 9, "S": 5, "P": 1, "N": 1}
O=S(=O)([O-])c1cccc(P(c2cccc(S(=O)(=O)[O-])c2)c2cccc(S(=O)(=O)[O-])c2)c1.[S-]c1nc2ccccc2s1
2 meas.
3D
#9211
Au(3)
donors: {"N": 1, "O": 1, "Cl": 2}
CC/N=C/c1ccccc1[O-].[Cl-].[Cl-]
2 meas.
3D
#9210
Au(1)
donors: {"N": 2, "S": 1, "O": 1, "P": 1}
CCCCCCCCCCCCCCCc1nnc([S-])o1.CCP(CC)CC
3 meas.
3D
#9209
Au(1)
donors: {"O": 6, "N": 2, "S": 2, "P": 1}
O=C(N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1CCN(C(=S)[S-])CC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9208
Au(1)
donors: {"O": 1, "N": 4, "P": 1}
c1ccc(CCOc2ncnc3[n-]cnc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
9 meas.
3D
#9207
Au(3)
donors: {"O": 4, "N": 5, "Cl": 2}
CO[C@@H]1[CH-]CC(C(=O)[N-]n2c(-c3ccccn3)nc3cccc[n+]32)C(C(=O)O)C1.[Cl-].[Cl-]
6 meas.
3D
#9206
Au(1)
donors: {"Cl": 1, "P": 1, "N": 1}
[Cl-].c1ccc(P(c2ccccc2)c2ccccn2)cc1
6 meas.
3D
#9205
Au(3)
donors: {"N": 2, "Br": 3}
Cn1[c-][n+](C)cc1.[Br-].[Br-].[Br-]
9 meas.
3D
#9204
Au(3)
donors: {"N": 6, "S": 2}
CCN(CC)C(=S)N=C([N-]N=C([S-])N(C)C)c1ccccc1.C[NH+](C)Cc1[c-]cccc1
2 meas.
3D
#9203
Au(1)
donors: {"N": 2, "S": 1, "O": 1, "P": 1}
CCCCCCCc1nnc([S-])o1.CCP(CC)CC
3 meas.
3D
#9202
Au(1)
donors: {"O": 9, "S": 1, "N": 3}
CC(=O)OC[C@H]1O[C@@H]([S-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.Cn1[c-][n+](-c2c3ccccc3nc3ccccc23)cc1
2 meas.
3D
#9201
Au(1)
donors: {"N": 4}
CCCCCCCCC[n+]1[c-]n(Cc2ccccc2)cc1.CCCCCCCCC[n+]1[c-]n(Cc2ccccc2)cc1
1 meas.
3D
#9200
Au(3)
donors: {"N": 2, "O": 2, "S": 1}
CC(C)(c1[c-]cccc1)c1cccc(-c2ccccn2)n1.Cc1cc(=O)oc2cc([S-])ccc12
4 meas.
3D
#9199
Au(1)
donors: {"N": 2, "O": 6, "Cl": 1}
CC[n+]1[c-]n(CCCOC(=O)[C@@]2(C)CC[C@]3(C)CC[C@]4(C)C(=CC(=O)[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]3C2)...
5 meas.
3D
#9198
Au(1)
donors: {"O": 2, "N": 4, "P": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[C-]#Cc1ccc(N)cc1
2 meas.
3D
#9197
Au(1)
donors: {"N": 4, "Cl": 1}
Cc1cc(C(c2ccccc2)c2ccccc2)c(-n2[c-][n+](-c3c(C(c4ccccc4)c4ccccc4)cc(C)cc3C(c3ccccc3)c3ccccc3)cc2)c(C(c2ccccc2)c2ccccc2)c...
4 meas.
3D
#9196
Au(1)
donors: {"N": 2, "O": 2, "F": 1, "Cl": 1}
CC[N+](=[C-]Nc1ccc2c(-c3ccc(OC)cc3)c(-c3ccc(F)cc3)c(-c3ccc(OC)cc3)c-2cc1)CC.[Cl-]
4 meas.
3D
#9195
Au(3)
donors: {"N": 3, "O": 2, "Cl": 2}
CC1(c2ccccn2)[N-]C(=O)NC1=O.[Cl-].[Cl-]
2 meas.
3D
#9194
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.[c-]1n(C2CCCCC2)cc[n+]1C1CCCCC1
7 meas.
3D
#9193
Au(3)
donors: {"O": 1, "N": 3, "Cl": 3}
CC(=O)N/N=C(/N)Cc1ccccc1.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#9192
Au(1)
donors: {"N": 2, "S": 1, "O": 1, "P": 1}
CCCCCCCc1nnc([S-])o1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9191
Au(1)
donors: {"P": 1, "O": 4, "N": 1, "S": 2}
CCP(CC)CC.COC1O[C@H](CN2CCSC2=S)[C@H]2OC(C)(C)O[C@@H]12
4 meas.
3D
#9190
Au(1)
donors: {"N": 1, "P": 1}
[C-]#Cc1ccc(N)cc1.c1ccc2c(P(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1
2 meas.
3D
#9189
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-])c1cccc(CSc2ncnc3[n-]cnc23)c1
5 meas.
3D
#9188
Au(3)
donors: {"O": 1, "N": 2, "Cl": 2}
COc1ccc2c(c1)CCN=C2c1ccccc1[NH-].[Cl-].[Cl-]
8 meas.
3D
#9187
Au(3)
donors: {"O": 3, "P": 1, "N": 5}
CC(C)OP(=O)(Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)cc1)OC(C)C
2 meas.
3D
#9186
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.CN1CCNC1=S
3 meas.
3D
#9185
Au(1)
donors: {"N": 1, "O": 4, "P": 1}
[C-]#CCNC(=O)C=Cc1cc(OC)c(OC)c(OC)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#9184
Au(1)
donors: {"Cl": 1, "N": 3}
[Cl-].[c-]1n(CCn2cccc2)cc[n+]1Cc1ccccc1
5 meas.
3D
#9183
Au(3)
donors: {"N": 2, "O": 2, "Cl": 3}
Cn1[c-][n+](C)c(C(=O)O)c1.[Cl-].[Cl-].[Cl-]
4 meas.
3D
#9182
Au(1)
donors: {"O": 3, "N": 3, "S": 1, "P": 1}
O=[N+]([O-])c1ccc(-c2nnc([S-])o2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9181
Au(1)
donors: {"N": 1, "Cl": 1}
CC(C)c1cccc(C(C)C)c1[N+]1=[C-]C2(CC1(C)C)C1CC3CC(C1)CC2C3.[Cl-]
3 meas.
3D
#9180
Au(1)
donors: {"N": 6}
[C-](\NC1CCCCC1)=[N+](\Cc1ccccn1)C1CCCCC1.[C-](\NC1CCCCC1)=[N+](\Cc1ccccn1)C1CCCCC1
4 meas.
3D
#9179
Au(1)
donors: {"N": 3, "S": 2}
CCn1[c-][n+](CC)c(-c2ccc(-c3ccccc3)cc2)c1-c1ccc(-c2ccccc2)cc1.[S-]c1nc2ccccc2s1
3 meas.
3D
#9178
Au(3)
donors: {"N": 2, "Cl": 2}
N[C@@H]1CCCC[C@H]1N.[Cl-].[Cl-]
3 meas.
3D
#9177
Au(1)
donors: {"P": 2}
c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
3D
#9176
Au(3)
donors: {"N": 1, "O": 2, "S": 2, "Br": 2}
CN(CC(=O)OC(C)(C)C)C(=S)[S-].[Br-].[Br-]
3 meas.
3D
#9175
Au(1)
donors: {"N": 3, "O": 2, "S": 2}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[S-]c1nc2ccccc2s1
1 meas.
3D
#9174
Au(1)
donors: {"F": 5, "N": 1, "P": 1, "S": 1}
Fc1[c-]c(F)c(F)c(F)c1F.Nc1ccccc1P(=S)(c1ccccc1)c1ccccc1
3 meas.
3D
#9173
Au(1)
donors: {"O": 4, "N": 4}
COC(=O)c1cn(C)[c-][n+]1C.COC(=O)c1cn(C)[c-][n+]1C
4 meas.
3D
#9172
Au(3)
donors: {"N": 3, "S": 2}
CCN(CC)C(=S)[S-].Cc1ccc(-c2ccc(C)cn2)nc1
5 meas.
3D
#9171
Au(3)
donors: {"N": 5, "S": 2}
N=C(N)[S-].N=C(N)[S-].[c-]1ccccc1-c1ccccn1
1 meas.
3D
#9170
Au(1)
donors: {"N": 4, "P": 1}
CN(C)c1cccc(N(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.c1cnc2c(c1)ccc1cccnc12
2 meas.
3D
#9169
Au(1)
donors: {"P": 1, "N": 1, "S": 2}
CC(C)(C)P(C(C)(C)C)C(C)(C)C.CN(C)C(=S)[S-]
3 meas.
3D
#9168
Au(1)
donors: {"O": 2, "N": 4, "P": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[C-]#CCN(CC#C)CC#C
2 meas.
3D
#9167
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.[Cl-].[Cl-].[c-]1n(C2CCCCC2)cc[n+]1C1CCCCC1
3 meas.
3D
#9166
Au(1)
donors: {"N": 4, "S": 1, "O": 1}
Cc1cc(C)nc([S-])n1.OC1CCCCC1[n+]1[c-]n(Cc2ccccc2)cc1
1 meas.
3D
#9165
Au(1)
donors: {"O": 9, "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.[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1...
2 meas.
3D
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5/189 (9414 total)