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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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#8514
Au(1)
donors: {"N": 2, "S": 1, "O": 1, "P": 1}
CCCCCCCCCCCCCCCCCc1nnc([S-])o1.CCP(CC)CC
3 meas.
3D
#8513
Au(1)
donors: {"N": 2, "O": 2, "P": 1}
[C-]#CCNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8512
Au(1)
donors: {"P": 1, "O": 2, "S": 1}
C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.O=C(O)c1ccc([S-])cc1
2 meas.
3D
#8511
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
1 meas.
3D
#8510
Au(3)
donors: {"P": 2, "O": 1, "N": 1, "Cl": 1}
CC(C)[C@@H]1CC[C@@H](C(C)C)P1c1ccccc1P1[C@H](C(C)C)CC[C@H]1C(C)C.O=C(c1[c-]cccc1)c1ccccn1.[Cl-]
4 meas.
3D
#8509
Au(1)
donors: {"N": 7, "P": 1, "O": 3}
C1N2CN3CN1CP(C2)C3.[C-]#Cc1ccc(Nc2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)cc1
2 meas.
3D
#8508
Au(1)
donors: {"N": 2, "O": 2, "Br": 1, "I": 1}
CCn1[c-][n+](CC)c(-c2ccc(OC)c(Br)c2)c1-c1ccc(OC)cc1.[I-]
2 meas.
3D
#8507
Au(1)
donors: {"F": 5, "S": 1, "P": 1, "N": 1}
Fc1[c-]c(F)c(F)c(F)c1F.S=P(c1ccccc1)(c1ccccc1)c1cccc2c1N[C@H](c1ccc3ccccc3c1)C[C@@H]2c1ccccc1
3 meas.
3D
#8506
Au(1)
donors: {"N": 2, "S": 2, "Cl": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1Sc1ccccc1.[S-]c1ccc(Cl)cc1
4 meas.
3D
#8505
Au(1)
donors: {"O": 2, "N": 1, "S": 2, "P": 1}
CCOC(=O)C1CCN(C(=S)[S-])CC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8504
Au(3)
donors: {"O": 2, "S": 2, "N": 1}
O=C([O-])c1ccccc1[S-].[c-]1ccccc1Sc1ccccn1
10 meas.
3D
#8503
Au(1)
donors: {"O": 4, "N": 4}
CCOC(=O)c1cn(C)[c-][n+]1C.CCOC(=O)c1cn(C)[c-][n+]1C
4 meas.
3D
#8502
Au(1)
donors: {"N": 2, "Cl": 1}
CC(C)(C)c1cc(C(c2ccccc2)c2ccccc2)c(-n2[c-][n+]3c(ccc4ccccc43)c2)c(C(c2ccccc2)c2ccccc2)c1.[Cl-]
2 meas.
3D
#8501
Au(1)
donors: {"N": 5, "O": 4, "F": 1, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[C-]#CCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
3 meas.
3D
#8500
Au(1)
donors: {"P": 1, "N": 4, "O": 2}
CP(C)C.[C-]#CCn1cnc2c(=O)n(C)c(=O)n(C)c21
21 meas.
3D
#8499
Au(1)
donors: {"N": 2, "S": 1, "F": 3}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1Sc1ccccc1.FC(F)(F)c1cc[c-]cc1
4 meas.
3D
#8498
Au(1)
donors: {"N": 3, "O": 1, "P": 1}
[C-]#CCNC(=O)c1nc(-c2ccccc2)c2ccccc2n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#8497
Au(1)
donors: {"N": 3, "O": 4, "Cl": 1}
CC[N+]1=[C-]N(c2ccc3c4c(cccc24)C(=O)N(CCOCCO)C3=O)CC1.[Cl-]
4 meas.
3D
#8496
Au(1)
donors: {"N": 4}
[c-]1n(-c2ccccc2)cc2cccc[n+]12.[c-]1n(-c2ccccc2)cc2cccc[n+]12
4 meas.
3D
#8495
Au(1)
donors: {"O": 12, "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.COP(OC)OC
3 meas.
3D
#8494
Au(1)
donors: {"N": 2, "O": 3, "Cl": 1}
Cn1[c-][n+](C)cc1.[C-]#CCOc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O
1 meas.
3D
#8493
Au(1)
donors: {"N": 4, "P": 1}
C[n+]1[c-]n(Cc2ccccc2)nn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#8492
Ir(3)
donors: {"N": 11, "O": 2, "Cl": 2}
Cc1nc2ccccc2nc1-c1[c-]cccc1.Cc1nc2ccccc2nc1-c1[c-]cccc1.O=C(CCCn1c(-c2ccccn2)nc2ccccc21)NCCNC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2...
1 meas.
3D
#8491
Au(1)
donors: {"O": 3, "N": 3, "S": 2}
COc1cc(O)c(C(C)=O)cc1C[n+]1[c-]n(C)cc1.S=C([S-])N1CCCCC1
2 meas.
3D
#8490
Au(1)
donors: {"N": 1, "S": 2}
CCN(CC)C(=S)[S-]
3 meas.
3D
#8489
Au(3)
donors: {"N": 4, "Cl": 2}
CCCC[n+]1[c-]n(C)cc1.CCCC[n+]1[c-]n(C)cc1.[Cl-].[Cl-]
2 meas.
3D
#8488
Au(3)
donors: {"N": 3, "O": 4}
CN(C)Cc1[c-]cccc1.O=C1[N-]C(=O)c2ccccc21.O=C1[N-]C(=O)c2ccccc21
1 meas.
3D
#8487
Au(1)
donors: {"O": 9, "S": 1, "N": 1}
CC(=O)OCC1OC([S-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CCC1(CC)[C-]=[N+](c2c(C(C)C)cccc2C(C)C)C(C)(C)C1
4 meas.
3D
#8486
Au(1)
donors: {"O": 2, "N": 2, "F": 1, "Cl": 1}
COc1ccc(-c2c3ccccc(N[C-]=[N+]4CCCCC4)c-3c(-c3ccc(OC)cc3)c2-c2ccccc2F)cc1.[Cl-]
4 meas.
3D
#8485
Au(1)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.[C-]#CC1(O)c2ccccc2-c2ccccc21
2 meas.
3D
#8484
Au(1)
donors: {"N": 3, "P": 1, "O": 3}
C1N2CN3CN1CP(C2)C3.[C-]#CCOc1c(-c2ccccc2)oc2ccccc2c1=O
3 meas.
3D
#8483
Au(1)
donors: {"N": 1, "P": 1, "Cl": 1}
CC(C)N=Cc1ccccc1P(c1ccccc1)c1ccccc1.[Cl-]
13 meas.
3D
#8482
Au(1)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.[C-]#CC(C)(C)C
4 meas.
3D
#8481
Au(1)
donors: {"P": 1, "Cl": 1}
CC(C)(C)CP(C(C)(C)C)C(C)(C)C.[Cl-]
2 meas.
3D
#8480
Au(1)
donors: {"S": 1, "N": 2, "P": 1}
[S-]/C(=N\c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#8479
Au(1)
donors: {"F": 15, "N": 3, "S": 1}
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[n+]1[c-]n(Cc2ccccc2)cc1.[S-]c1ccccn1
4 meas.
3D
#8478
Au(3)
donors: {"N": 2, "S": 2}
CCN(CC)C(=S)[S-].[c-]1ccccc1Cc1ccccn1
5 meas.
3D
#8477
Au(1)
donors: {"O": 2, "N": 2}
CC(=O)[O-].CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1
4 meas.
3D
#8476
Ir(3)
donors: {"O": 1, "N": 2, "P": 1, "Cl": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C([N-]CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccc2ccc3cccc4ccc1c2c34)c1ccccn1.[Cl-]
1 meas.
3D
#8475
Au(3)
donors: {"N": 4}
N[C@H](c1cccc2ccccc12)[C@@H](N)c1cccc2ccccc12.N[C@H](c1cccc2ccccc12)[C@@H](N)c1cccc2ccccc12
3 meas.
3D
#8474
Au(3)
donors: {"N": 2, "S": 1, "Cl": 1}
Cc1cc(C)nc([S-])c1.[Cl-].[c-]1ccccc1Cc1ccccn1
1 meas.
3D
#8473
Au(1)
donors: {"P": 1, "O": 2, "S": 1}
C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.O=C(O)c1cccc([S-])c1
2 meas.
3D
#8472
Au(3)
donors: {"O": 1, "N": 3, "S": 1, "Cl": 1}
O=c1ccnc([S-])[nH]1.[Cl-].[c-]1ccccc1-c1ccccn1
1 meas.
3D
#8471
Au(1)
donors: {"N": 3, "Cl": 1, "P": 2}
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#8470
Au(1)
donors: {"F": 1, "N": 2}
[C-]#Cc1ccc(F)cc1.[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1
2 meas.
3D
#8469
Au(3)
donors: {"N": 1}
[C-]#Cc1ccc(C)cc1.[C-]#Cc1ccc(C)cc1.[c-]1ccccc1-c1ccccn1
1 meas.
3D
#8468
Au(1)
donors: {"N": 1, "O": 1, "P": 1}
[C-]#CCNC(=O)Cc1cccc2ccccc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8467
Au(1)
donors: {"Br": 1, "N": 2}
[Br-].[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1
2 meas.
3D
#8466
Au(1)
donors: {"N": 3, "Cl": 1}
Cc1cc(C)c([NH+]=[C-]NCc2ccc(N)cc2)c(C)c1.[Cl-]
6 meas.
3D
#8465
Au(1)
donors: {"N": 5, "O": 1}
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)Nc3ccc(C(C)(C)C)cc3)cc2)c(C)c1
1 meas.
3D
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19/189 (9414 total)