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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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Ru
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#7264
Au(1)
donors: {"O": 6, "N": 2, "S": 2, "P": 1}
COC1O[C@H](CNC(=O)C2CCN(C(=S)[S-])CC2)[C@@H](O)[C@H](O)[C@H]1O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7263
Au(1)
donors: {"N": 4, "O": 1, "S": 1}
CCn1[c-][n+](CC)cc1-c1ccccc1.NCCNC(=O)c1ccc([S-])cc1
7 meas.
3D
#7262
Au(1)
donors: {"O": 2, "N": 5, "P": 1, "S": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.Cc1cc(C)nc([S-])n1
2 meas.
3D
#7261
Au(3)
donors: {"N": 5, "S": 4, "O": 2}
CCN(CC)C(=S)/N=C(\[N-]/N=C(\[S-])N1CCOCC1)c1ccccc1.CCOC(=S)[S-]
4 meas.
3D
#7260
Au(1)
donors: {"N": 3, "Cl": 1}
Cc1c(C)c(C)c(Cn2[c-][n+](CCN(C(C)C)C(C)C)c3ccccc32)c(C)c1C.[Cl-]
4 meas.
3D
#7259
Ir(3)
donors: {"N": 8}
C[N+]1(C)CCN(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)CC1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
2 meas.
3D
#7258
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.CCCCn1[c-][n+](C)cc1
6 meas.
3D
#7257
Au(1)
donors: {"N": 1, "P": 1, "Cl": 1}
CN1C=CC2C1c1cccc3cccc(c13)P2c1ccccc1.[Cl-]
3 meas.
3D
#7256
Au(1)
donors: {"P": 1, "O": 3, "N": 3, "S": 1}
CCP(CC)CC.O=[N+]([O-])c1ccc(-c2nnc([S-])o2)cc1
3 meas.
3D
#7255
Au(1)
donors: {"N": 2, "Cl": 1}
Cc1cc(C)c(-n2[c-][n+](C)cc2)c(C)c1.[Cl-]
2 meas.
3D
#7254
Au(3)
donors: {"O": 2, "N": 2, "Cl": 2}
CC(C)C(CO)[N-]C(=O)c1ccccn1.[Cl-].[Cl-]
2 meas.
3D
#7253
Au(1)
donors: {"O": 2, "N": 2, "F": 1, "Cl": 1}
COc1ccc(-c2c3ccccc(N/[C-]=[N+](/c4ccccc4)C(C)C)c-3c(-c3ccc(OC)cc3)c2-c2ccccc2F)cc1.[Cl-]
4 meas.
3D
#7252
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.[OH-]
11 meas.
3D
#7251
Au(1)
donors: {"O": 1, "N": 3, "P": 1}
c1ccc(CCOc2ncnc3cc[n-]c23)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
10 meas.
3D
#7250
Au(1)
donors: {"N": 4, "O": 4}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
7 meas.
3D
#7249
Au(1)
donors: {"N": 5, "O": 2, "F": 1, "Cl": 1}
CCn1[c-][n+](CC)cc1.[C-]#CCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
3 meas.
3D
#7248
Au(1)
donors: {"O": 12, "S": 3, "P": 1}
O=S(=O)([O-])c1ccc(P(c2ccc(S(=O)(=O)[O-])cc2)c2ccc(S(=O)(=O)[O-])cc2)cc1.[C-]#CCOc1ccc2ccc(=O)oc2c1
2 meas.
3D
#7247
Au(1)
donors: {"O": 9, "S": 2, "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.c1ccc(P2c3cscc3-c3cccc4cccc2c34)cc1
7 meas.
3D
#7246
Au(3)
donors: {"Cl": 3, "N": 2}
[Cl-].[Cl-].[Cl-].[c-]1cnn(-c2ccccc2)c1
5 meas.
3D
#7245
Au(1)
donors: {"N": 4, "S": 1, "Cl": 1}
CC(=NNC(=S)Nc1ccccc1)c1cccc[nH+]1.[Cl-]
3 meas.
3D
#7244
Au(1)
donors: {"O": 1, "P": 1}
[C-]#Cc1ccc(C=O)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7243
Au(1)
donors: {"O": 9, "S": 1, "N": 2}
C=C(OC)OC[C@H]1O[C@H]([S-])[C@@H](OC(=C)OC)[C@@H](OC(=C)OC)[C@@H]1OC(=C)OC.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cc...
3 meas.
3D
#7242
Ir(3)
donors: {"N": 4, "O": 2}
NCCN.O=C1c2ccc[c-]c2-c2nccc3cccc1c23.O=C1c2ccc[c-]c2-c2nccc3cccc1c23
4 meas.
3D
#7241
Au(3)
donors: {"N": 4, "O": 5, "S": 2, "Cl": 2}
CN(CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OC(C)(C)C)C(=S)[S-].[Cl-].[Cl-]
4 meas.
3D
#7240
Au(3)
donors: {"N": 2, "S": 2}
CN(C)C(=S)[S-].[c-]1ccccc1-c1ccccn1
1 meas.
3D
#7239
Au(3)
donors: {"O": 2, "N": 1, "S": 2, "Br": 2}
CCOC(=O)CN(C)C(=S)[S-].[Br-].[Br-]
10 meas.
3D
#7238
Au(3)
donors: {"N": 3, "Cl": 2}
CCn1c(-c2ccccn2)nc2ccccc21.[Cl-].[Cl-]
4 meas.
3D
#7237
Au(1)
donors: {"O": 1, "S": 3, "P": 1}
CCOC(=S)[S-].c1ccc(P2c3cscc3-c3cccc4cccc2c34)cc1
2 meas.
3D
#7236
Au(1)
donors: {"N": 3, "S": 1}
CCCCCCCCC[n+]1[c-]n(Cc2ccccc2)cc1.[S-]c1ccccn1
4 meas.
3D
#7235
Au(1)
donors: {"N": 1, "S": 1, "O": 2, "P": 1}
[C-]#CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7234
Au(1)
donors: {"N": 2, "Cl": 3, "O": 1}
CCn1[c-][n+](CC)c(-c2cc(Cl)cc(Cl)c2)c1-c1ccc(OC)cc1.[Cl-]
2 meas.
3D
#7233
Au(1)
donors: {"N": 4, "O": 12}
CC[n+]1[c-]n(CCCCCOC(=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]3C...
6 meas.
3D
#7232
Au(1)
donors: {"N": 2, "F": 2, "Br": 1}
CCn1[c-][n+](CC)c(-c2cccc(F)c2)c1-c1cccc(F)c1.[Br-]
3 meas.
3D
#7231
Au(1)
donors: {"N": 1, "Cl": 1}
CCC1(CC)[C-]=[N+](c2c(C(C)C)cccc2C(C)C)C(C)(C)C1.[Cl-]
4 meas.
3D
#7230
Ir(3)
donors: {"N": 5, "O": 1, "Cl": 2}
Cc1ccnc(-c2cc(CNC(=O)C(Cl)Cl)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
3D
#7229
Au(1)
donors: {"Cl": 1, "N": 3}
[Cl-].[c-]1n(Cc2ccccc2)cn[n+]1Cc1ccccc1
2 meas.
3D
#7228
Au(1)
donors: {"I": 1, "N": 2}
[I-].[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1
2 meas.
3D
#7227
Au(1)
donors: {"N": 2, "O": 2}
CC(C)c1cccc(C(C)C)c1N1[C-]=[N+](c2c(C(C)C)cccc2C(C)C)CC1.[C-]#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]...
4 meas.
3D
#7226
Au(1)
donors: {"N": 2, "Br": 1}
CCn1[c-][n+](CC)c(-c2ccccc2)c1-c1ccccc1.[Br-]
9 meas.
3D
#7225
Au(1)
donors: {"O": 3, "N": 2, "S": 1, "P": 1}
O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#7224
Au(1)
donors: {"O": 8, "N": 4}
COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)n(C)[c-][n+]2C)cc1.COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)n(C)[c-][n+]2C)cc1
6 meas.
3D
#7223
Au(1)
donors: {"O": 9, "S": 1, "N": 2}
C=C(OC)OC[C@H]1O[C@H]([S-])[C@@H](OC(=C)OC)[C@@H](OC(=C)OC)[C@@H]1OC(=C)OC.Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(...
3 meas.
3D
#7222
Au(3)
donors: {"O": 2, "N": 2, "S": 8}
OCCn1c([S-])c([S-])sc1=S.OCCn1c([S-])c([S-])sc1=S
7 meas.
3D
#7221
Au(1)
donors: {"N": 5, "S": 1, "P": 1}
Nc1nc([S-])c2nc[nH]c2n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
11 meas.
3D
#7220
Au(1)
donors: {"N": 3, "Cl": 2}
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.[Cl-]
6 meas.
3D
#7219
Au(3)
donors: {"N": 8}
C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([n-]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1
5 meas.
3D
#7218
Au(3)
donors: {"F": 10, "N": 4}
Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.[C-](NC1CCCCC1)=[N+](Cc1ccccn1)Cc1ccccn1
3 meas.
3D
#7217
Au(1)
donors: {"N": 2, "F": 2, "O": 5, "P": 1}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[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]...
3 meas.
3D
#7216
Au(3)
donors: {"O": 2, "N": 4}
CC(=O)[N-]c1ccccc1[N-]C(C)=O.[c-]1ccccc1Nc1ccccn1
1 meas.
3D
#7215
Au(3)
donors: {"N": 4, "O": 4, "Cl": 2}
Cn1[c-][n+](C)c(C(=O)O)c1.Cn1[c-][n+](C)c(C(=O)O)c1.[Cl-].[Cl-]
4 meas.
3D
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44/189 (9414 total)