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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
Os
Re
Rh
Ru
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#9364
Au(1)
donors: {"P": 1, "O": 2, "S": 1}
C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.O=C(O)c1ccccc1[S-]
2 meas.
3D
#9363
Au(1)
donors: {"N": 4, "S": 1}
Cn1[c-][n+](-c2c3ccccc3nc3ccccc23)cc1.[S-]c1ccccn1
2 meas.
3D
#9362
Au(3)
donors: {"N": 4, "O": 3}
CC(=N\O)/C(C)=N/c1ccc(C(=O)c2ccccc2)cc1/N=C(C)/C(C)=N/O
2 meas.
3D
#9361
Au(1)
donors: {"O": 4, "N": 2}
COc1cc(O)c(C(C)=O)cc1C[n+]1[c-]n(C)cc1.[C-]#Cc1ccc(OC)cc1
2 meas.
3D
#9360
Au(1)
donors: {"Cl": 1, "P": 2}
[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
3D
#9359
Au(1)
donors: {"N": 4, "S": 1}
CC(C)n1[c-][n+](C(C)C)c2ccccc21.[S-]c1ncccn1
5 meas.
3D
#9358
Au(1)
donors: {"N": 2, "Cl": 1}
Cn1[c-][n+](C(c2ccccc2)c2ccccc2)cc1.[Cl-]
3 meas.
3D
#9357
Au(3)
donors: {"N": 6}
CCCCc1c[c-]c(-c2ccccn2)cc1.N=C(N)/N=C(\[NH-])N
7 meas.
3D
#9356
Au(3)
donors: {"Cl": 3, "N": 2}
[Cl-].[Cl-].[Cl-].c1c[nH]cn1
1 meas.
3D
#9355
Au(1)
donors: {"N": 1, "S": 2, "P": 1}
CCCCCCCCCCCCCCCCN1CCSC1=S.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9354
Au(1)
donors: {"N": 2, "O": 4, "Cl": 1}
Cn1[c-][n+](Cc2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1.[Cl-]
1 meas.
3D
#9353
Au(1)
donors: {"P": 1, "N": 1}
CCP(CC)CC.[C-]#N
15 meas.
3D
#9352
Au(1)
donors: {"N": 4, "Br": 4}
CC[n+]1[c-]n(-c2cc(Br)cc(Br)c2)cc1.CC[n+]1[c-]n(-c2cc(Br)cc(Br)c2)cc1
1 meas.
3D
#9351
Au(3)
donors: {"O": 2, "N": 3}
CC(=O)[N-]c1ccccc1[N-]C(C)=O.[c-]1ccccc1Cc1ccccn1
1 meas.
3D
#9350
Au(1)
donors: {"N": 4, "S": 1, "O": 3, "Cl": 1}
CCNC(=S)NN=Cc1ccc([N+](=O)[O-])o1.[Cl-]
5 meas.
3D
#9349
Au(3)
donors: {"N": 5, "F": 3, "O": 1, "Cl": 3}
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#9348
Au(1)
donors: {"O": 5, "N": 4, "P": 1}
COc1ccc2c(Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc(=O)oc2c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#9347
Au(1)
donors: {"N": 4, "O": 2}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.CCn1[c-][n+](CC)cc1
1 meas.
3D
#9346
Au(1)
donors: {"O": 2, "N": 2, "Cl": 1}
OCC[n+]1[c-]n(CC(O)c2ccccc2)cc1.[Cl-]
5 meas.
3D
#9345
Au(1)
donors: {"O": 1, "P": 1}
[C-]#Cc1ccc(OC)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#9344
Au(1)
donors: {"Br": 2, "N": 8, "Cl": 1}
Brc1ccccc1Cn1cc(Cn2[c-][n+](Cc3cn(Cc4ccccc4Br)nn3)cc2)nn1.[Cl-]
1 meas.
3D
#9343
Au(1)
donors: {"O": 1, "Cl": 1, "N": 2, "I": 1}
COc1ccc(-c2c(-c3ccc(Cl)cc3)[n+](C)[c-]n2C)cc1.[I-]
4 meas.
3D
#9342
Au(1)
donors: {"N": 4, "O": 12}
CC[n+]1[c-]n(CCCCOC(=O)/C=C/c2ccc(O)c(OC)c2)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.CC[n+]1[c-]n(CCCCOC(=O)/C=C/c2ccc(O)c(OC)c2)...
2 meas.
3D
#9341
Au(1)
donors: {"N": 2, "Cl": 1, "O": 3, "I": 1}
CCn1[c-][n+](CC)c(-c2cc(Cl)c(OC)c(OC)c2)c1-c1ccc(OC)cc1.[I-]
2 meas.
3D
#9340
Au(1)
donors: {"N": 4, "O": 3, "I": 1}
Cn1c(=O)c2c(n(C)[c-][n+]2CC(O)c2ccccc2)n(C)c1=O.[I-]
3 meas.
3D
#9339
Au(3)
donors: {"O": 2, "N": 4}
COc1cc(OC)cc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)c1
5 meas.
3D
#9338
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.S=C1NCCCCN1
3 meas.
3D
#9337
Au(1)
donors: {"O": 2, "N": 2, "P": 2, "S": 2}
O=C(NCCP(c1ccccc1)c1ccccc1)c1cccs1.O=C(NCCP(c1ccccc1)c1ccccc1)c1cccs1
4 meas.
3D
#9336
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.[Se]=C1NCCCCN1
3 meas.
3D
#9335
Au(3)
donors: {"S": 2, "N": 3}
S=C([S-])N1CCCC1.[c-]1ccccc1Nc1ccccn1
3 meas.
3D
#9334
Au(1)
donors: {"N": 2, "Cl": 2, "O": 1, "I": 1}
CCn1[c-][n+](CC)c(-c2cc(Cl)cc(Cl)c2)c1-c1ccc(OC)cc1.[I-]
2 meas.
3D
#9333
Au(1)
donors: {"O": 1, "N": 2}
O=C([N-]Cc1ccccc1)c1ccccn1
2 meas.
3D
#9332
Au(3)
donors: {"F": 6, "N": 10, "O": 2}
FC(F)(F)c1ccnc(N/N=C\c2ccc(N3CCOCC3)cc2)n1.FC(F)(F)c1ccnc(N/N=C\c2ccc(N3CCOCC3)cc2)n1
5 meas.
3D
#9331
Au(3)
donors: {"O": 4, "N": 2, "Cl": 2}
COC(=O)[C@H](CC1CCCCC1)NCCN[C@@H](CC1CCCCC1)C(=O)OC.[Cl-].[Cl-]
3 meas.
3D
#9330
Au(3)
donors: {"N": 6, "S": 6}
CCN1C([S-])=C([S-])SC1=C(C#N)C#N.CCN1C([S-])=C([S-])SC1=C(C#N)C#N
3 meas.
3D
#9329
Au(3)
donors: {"N": 4, "O": 2}
CC(=N\O)/C(C)=N/C1CCCCC1/N=C(C)/C(C)=N/O
2 meas.
3D
#9328
Au(1)
donors: {"F": 6, "N": 2, "Cl": 1}
FC(F)(F)c1ccc(-n2[c-][n+](-c3ccc(C(F)(F)F)cc3)c3c2-c2cccc4cccc-3c24)cc1.[Cl-]
1 meas.
3D
#9327
Au(1)
donors: {"N": 2, "Cl": 1}
C[Si](C)(C)CC#C[n+]1[c-]n(Cc2c3ccccc3cc3ccccc23)c2ccccc21.[Cl-]
4 meas.
3D
#9326
Au(1)
donors: {"N": 6, "S": 2}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.Cn1ccn([BH2-]n2ccn(C)c2=S)c1=S
1 meas.
3D
#9325
Au(1)
donors: {"P": 1, "N": 4, "Cl": 1}
CC(C)(C)P(c1ccnn1-c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1)C(C)(C)C.[Cl-]
7 meas.
3D
#9324
Au(1)
donors: {"P": 1, "O": 2, "N": 3}
CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.O=[N+]([O-])c1cc2cccnc2c2ncccc12
2 meas.
3D
#9323
Au(1)
donors: {"P": 1, "N": 1, "O": 3, "S": 1}
CCP(CC)CC.Cc1ncc(CO)c2cc([S-])c(=O)oc12
2 meas.
3D
#9322
Au(1)
donors: {"N": 4, "Cl": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.Clc1nc2ccccc2[n-]1
4 meas.
3D
#9321
Au(1)
donors: {"N": 2, "S": 1, "O": 1, "P": 1}
CCCCCCCCCCCCCc1nnc([S-])o1.CCP(CC)CC
3 meas.
3D
#9320
Au(1)
donors: {"O": 9, "S": 1, "N": 4}
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(Cc2ccccn2)cc[n+]1-c1c2ccccc2nc2ccccc12
2 meas.
3D
#9319
Au(1)
donors: {"O": 2, "P": 1}
[C-]#CCCOC(=O)C(C)c1ccc(CC(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#9318
Au(3)
donors: {"N": 4, "S": 1, "Cl": 1}
CN/C([S-])=N/N=C(\c1ccccc1)c1ccccn1.[Cl-]
5 meas.
3D
#9317
Au(1)
donors: {"S": 1, "N": 2, "O": 1, "P": 1}
[S-]/C(=N\c1ccccc1)N1CCOCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#9316
Au(1)
donors: {"O": 3, "N": 3, "P": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[C-]#Cc1ccc(OC)cc1
2 meas.
3D
#9315
Ir(3)
donors: {"O": 1, "S": 2, "Cl": 1}
CC(C)OC(=S)[S-].Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
3D
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