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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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Ir
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Ru
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#7414
Ir(3)
donors: {"O": 1, "S": 2, "Cl": 1}
CCOC(=S)[S-].Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
3D
#7413
Au(3)
donors: {"N": 4, "Cl": 2}
CC(C)(C)n1[c-][n+](C(C)(C)C)cc1.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.[Cl-].[Cl-]
3 meas.
3D
#7412
Au(3)
donors: {"N": 4, "O": 3, "Cl": 1}
CC(C)CC(N)C(=O)[N-]C(Cc1c[nH]cn1)C(=O)O.[Cl-]
6 meas.
3D
#7411
Au(1)
donors: {"O": 1, "N": 4, "Cl": 1, "P": 1}
CCCCOc1nc(Cl)nc2[n-]cnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7410
Au(1)
donors: {"O": 1, "N": 4, "P": 1}
C=CCOc1ncnc2[n-]cnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7409
Au(1)
donors: {"O": 2, "N": 3, "P": 1, "Cl": 1}
COC(=O)C[N+]12CN3CN(CP(C3)C1)C2.[Cl-]
6 meas.
3D
#7408
Au(3)
donors: {"O": 1, "N": 3}
[O-]c1ccccc1[N-]c1c2ccccc2nc2ccccc12.[c-]1ccccc1Cc1ccccn1
3 meas.
3D
#7407
Au(1)
donors: {"N": 6, "O": 2}
CCC[n+]1[c-]n(CC)c(-c2ccc(C)cc2)c1-c1ccc(OC)nc1.CCC[n+]1[c-]n(CC)c(-c2ccc(C)cc2)c1-c1ccc(OC)nc1
3 meas.
3D
#7406
Ir(3)
donors: {"O": 1, "N": 4, "P": 1}
C/C(=C/C(=O)c1ccccc1)[N-]c1ccccc1.C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)[c-](C)c1C
4 meas.
3D
#7405
Au(1)
donors: {"N": 2, "O": 2, "F": 5, "Cl": 1}
C[n+]1[c-]n(Cc2ccc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)cc1.[Cl-]
1 meas.
3D
#7404
Ir(3)
donors: {"N": 4, "O": 4}
Cc1ccnc(-c2cc(COC(=O)Cc3cccc4c(=O)c5ccc(C)c(C)c5oc34)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
3D
#7403
Au(3)
donors: {"S": 8, "N": 2}
S=c1sc([S-])c([S-])n1C1CC1.S=c1sc([S-])c([S-])n1C1CC1
6 meas.
3D
#7402
Au(3)
donors: {"O": 6, "N": 2, "S": 2, "Br": 2}
COC1O[C@H](CNC(=O)C2CCN(C(=S)[S-])CC2)[C@@H](O)[C@H](O)[C@H]1O.[Br-].[Br-]
4 meas.
3D
#7401
Au(3)
donors: {"S": 4, "N": 2}
S=C([S-])N1CCCCC1.S=C([S-])N1CCCCC1
4 meas.
3D
#7400
Au(1)
donors: {"N": 6, "S": 2, "O": 2}
NC(=S)N/N=C/c1ccc(O)cc1.NC(=S)N/N=C/c1ccc(O)cc1
3 meas.
3D
#7399
Au(1)
donors: {"N": 4, "P": 1, "O": 2}
C1N2CN3CN1CP(C2)C3.[C-]#CCNC(=O)C=Cc1ccc(OC)cc1
4 meas.
3D
#7398
Au(1)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.[C-]#Cc1ccc(OC)cc1
4 meas.
3D
#7397
Au(1)
donors: {"N": 2, "Cl": 1}
Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Se])c(C)c1.[Cl-]
7 meas.
3D
#7396
Au(1)
donors: {"O": 1, "P": 2}
[C-]#Cc1ccc(OC)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7395
Au(1)
donors: {"N": 2, "Cl": 1, "O": 1, "P": 1}
CCn1[c-][n+](CC)c(-c2ccc(Cl)cc2)c1-c1ccc(OC)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7394
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](C)cc1.CCN1CCNC1=[Se]
3 meas.
3D
#7393
Ir(3)
donors: {"O": 2, "N": 5}
O=C1Nc2ccccc2/C1=N\N=C\c1ccccc1[O-].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
3D
#7392
Ir(3)
donors: {"S": 4, "O": 4, "N": 8}
Cc1ccc(S(=O)(=O)Nc2c[c-]c(-c3ccccn3)cc2)cc1.Cc1ccc(S(=O)(=O)Nc2c[c-]c(-c3ccccn3)cc2)cc1.c1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccc...
5 meas.
3D
#7391
Au(1)
donors: {"O": 2, "N": 3, "S": 1, "P": 1}
O=C(O)c1cccnc1[S-].c1ccc(P(Nc2ccccn2)c2ccccc2)cc1
2 meas.
3D
#7390
Au(1)
donors: {"S": 2, "Br": 1, "N": 1}
CSC.Cc1ccc(C)c2c1c1cc(Br)ccc1n2CCCCCCC[S-]
3 meas.
3D
#7389
Au(1)
donors: {"S": 2, "N": 2}
SC1=NCCS1.[C-]#N
6 meas.
3D
#7388
Au(3)
donors: {"S": 1, "P": 3, "Cl": 1}
S=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.[Cl-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
6 meas.
3D
#7387
Au(1)
donors: {"N": 6, "O": 3}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.Cc1cc(C)c(-n2[c-][n+](CC(=O)NCCN3C(=O)C=CC3=O)cc2)c(C)c1
1 meas.
3D
#7386
Au(3)
donors: {"N": 5, "S": 2, "Cl": 1}
CCN(CC)C(=S)NC([N-]/N=C(\[S-])N(C)C)c1ccccc1.[Cl-]
1 meas.
3D
#7385
Au(1)
donors: {"N": 5, "P": 1, "S": 1}
C1N2CN3CN1CP(C2)C3.[C-]#CCSc1nccc(C)n1
2 meas.
3D
#7384
Au(1)
donors: {"O": 4, "N": 3, "Cl": 1}
COC(=O)C(Cc1cn(C)[c-][n+]1C)NC(=O)OC(C)(C)C.[Cl-]
7 meas.
3D
#7383
Au(1)
donors: {"N": 1, "S": 2}
CN(C)C(=S)[S-]
3 meas.
3D
#7382
Au(1)
donors: {"N": 3, "Br": 1}
Cc1ccc(-n2[c-][n+](C(C)(C)C)nc2-c2ccccc2)cc1.[Br-]
4 meas.
3D
#7381
Au(1)
donors: {"N": 3, "P": 1, "O": 2}
C1N2CN3CN1CP(C2)C3.[C-]#CC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1O
2 meas.
3D
#7380
Au(1)
donors: {"N": 2}
CCC(CC)c1cccc(C(CC)CC)c1-n1[c-][n+](-c2c(C(CC)CC)cccc2C(CC)CC)cc1.[Se-]c1ccccc1
4 meas.
3D
#7379
Ir(3)
donors: {"N": 4}
Cc1ccnc(-c2cc(C)ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
5 meas.
3D
#7378
Au(1)
donors: {"N": 2, "F": 2}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#CC(C)(C)C
1 meas.
3D
#7377
Au(3)
donors: {"N": 4}
C1CNCCNCCCNCCNC1
3 meas.
3D
#7376
Au(3)
donors: {"N": 2, "O": 1}
CC(C)(c1c[c-]ccc1)c1cccc(-c2ccccn2)n1.[OH-]
2 meas.
3D
#7375
Au(1)
donors: {"N": 1, "S": 1, "O": 2, "P": 1}
[C-]#CCN(C)S(=O)(=O)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7374
Au(3)
donors: {"F": 4, "N": 4}
Fc1ccc(-c2c3nc(c(-c4ccc(F)cc4)c4ccc([n-]4)c(-c4ccc(F)cc4)c4nc(c(-c5ccc(F)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1
5 meas.
3D
#7373
Au(1)
donors: {"Cl": 2, "N": 2}
Clc1cc(C(c2ccccc2)c2ccccc2)c(-n2[c-][n+]3c(ccc4ccccc43)c2)c(C(c2ccccc2)c2ccccc2)c1.[Cl-]
2 meas.
3D
#7372
Au(1)
donors: {"N": 3, "Cl": 1}
CC(C)c1cccc(C(C)C)c1[NH+]=[C-]NCc1ccc(N)cc1.[Cl-]
6 meas.
3D
#7371
Au(1)
donors: {"P": 1}
[C-]#Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7370
Ir(3)
donors: {"N": 5}
CN(C)c1c[c-][n+](-c2ccccn2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
9 meas.
3D
#7369
Au(1)
donors: {"N": 3, "P": 2, "S": 1}
C1N2CN3CN1CP(C2)C3.S=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1
5 meas.
3D
#7368
Au(1)
donors: {"F": 5, "O": 1, "N": 1, "P": 1, "S": 1}
Fc1[c-]c(F)c(F)c(F)c1F.O=C(NCCP(c1ccccc1)c1ccccc1)c1cccs1
4 meas.
3D
#7367
Au(1)
donors: {"S": 1, "P": 1, "N": 1}
Cc1ccc([S-])cc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
1 meas.
3D
#7366
Au(1)
donors: {"N": 4, "P": 1, "S": 1}
C1N2CN3CN1CP(C2)C3.[C-]#CCSc1ccccn1
2 meas.
3D
#7365
Au(1)
donors: {"N": 4}
CCn1[c-][n+](CC)c(-c2ccccc2)c1-c1c2ccccc2cc2ccccc12.CCn1[c-][n+](CC)c(-c2ccccc2)c1-c1c2ccccc2cc2ccccc12
6 meas.
3D
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41/189 (9414 total)