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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
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Metal
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#7614
Au(3)
donors: {"N": 3, "O": 1}
C#CCn1[c-][n+](Cc2cccc(C(=O)c3ccccc3)c2)cc1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
4 meas.
3D
#7613
Au(3)
donors: {"N": 3, "O": 1, "Cl": 3}
C/C(N)=N\NC(=O)c1ccccc1.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#7612
Au(1)
donors: {"N": 2, "O": 5, "Cl": 1}
CC[n+]1[c-]n(CCCCCOC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)c(-c2c...
5 meas.
3D
#7611
Au(1)
donors: {"S": 2, "N": 1, "P": 1}
[S-]C1=NCCS1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7610
Au(1)
donors: {"N": 5, "S": 2, "O": 10}
CC[n+]1[c-]scc1C[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)OC.COC(=O)CNC(=O)[C@H](C[S-])NC(=O)OC(C)(C)C
3 meas.
3D
#7609
Au(3)
donors: {"N": 3, "S": 2}
CN(C)C(=S)[S-].c1ccc(-c2ccccn2)nc1
5 meas.
3D
#7608
Au(1)
donors: {"N": 5, "O": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)c2c1C(=O)c1ccccc1C2=O.CCN(CC)C(=O)Cn1[c-][n+](CCO)cc1
2 meas.
3D
#7607
Au(1)
donors: {"O": 3, "P": 1}
[C-]#CCOC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2.c1ccc(P(c2ccccc2)...
4 meas.
3D
#7606
Ir(3)
donors: {"F": 4, "N": 10}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.c1ccc(CN(Cc2ccccn2)c2ccnc(-c3cc(N(Cc4ccccn4)Cc4ccccn4)ccn3)c2)nc1
5 meas.
3D
#7605
Au(3)
donors: {"N": 3}
CC(C)(c1[c-]cccc1)c1cccc(-c2ccccn2)n1.Cc1cccc(C)c1[NH-]
7 meas.
3D
#7604
Au(1)
donors: {"Cl": 1, "N": 4, "P": 1}
[Cl-].c1ccc(C[N+]23CN4CN(CP(C4)C2)C3)nc1
2 meas.
3D
#7603
Au(1)
donors: {"N": 2, "I": 1}
CCN1[C-]=[N+](CC)[C@H](c2ccccc2)[C@H]1c1ccccc1.[I-]
2 meas.
3D
#7602
Au(1)
donors: {"N": 4, "O": 10}
CC[n+]1[c-]n(CCCCCOC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)c(-c2c...
5 meas.
3D
#7601
Au(1)
donors: {"N": 2, "O": 2, "I": 1}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[I-]
9 meas.
3D
#7600
Au(1)
donors: {"N": 2, "S": 1, "P": 1}
Cn1c(=N)sc2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#7599
Au(3)
donors: {"N": 2, "S": 2}
CCCn1c([Se-])c([Se-])sc1=[Se].CCCn1c([Se-])c([Se-])sc1=[Se]
3 meas.
3D
#7598
Au(1)
donors: {"O": 1, "S": 1, "N": 2}
CC(=O)[S-].CC(C)n1[c-][n+](C(C)C)cc1
1 meas.
3D
#7597
Au(1)
donors: {"O": 2, "N": 2, "F": 1, "Cl": 1}
COc1ccc(-c2c3ccccc(N/[C-]=[NH+]/c4c(C)cccc4C)c-3c(-c3ccc(OC)cc3)c2-c2ccccc2F)cc1.[Cl-]
4 meas.
3D
#7596
Au(3)
donors: {"O": 4, "N": 2, "Cl": 2}
CCCCCOC(=O)[C@H](C)NCCN[C@@H](C)C(=O)OCCCCC.[Cl-].[Cl-]
4 meas.
3D
#7595
Au(1)
donors: {"N": 3, "P": 1, "O": 9, "S": 1}
C1N2CN3CN1CP(C2)C3.CC(=O)OC[C@H]1O[C@@H]([S-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
2 meas.
3D
#7594
Ir(3)
donors: {"N": 10}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(CN(Cc2ccccn2)c2ccnc(-c3cc(N(Cc4ccccn4)Cc4ccccn4)ccn3)c2)nc1
5 meas.
3D
#7593
Au(1)
donors: {"N": 8, "O": 4}
C/C=C/C[n+]1[c-]n(C)c2c(=O)n(C)c(=O)n(C)c21.C/C=C/C[n+]1[c-]n(C)c2c(=O)n(C)c(=O)n(C)c21
5 meas.
3D
#7592
Au(3)
donors: {"O": 40, "N": 4}
CC(=O)OC[C@@H]1O[C@](C)(Oc2ccc(-c3c4nc(c(-c5ccc(O[C@@]6(C)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]6OC(C)=O)...
5 meas.
3D
#7591
Au(1)
donors: {"O": 6, "Cl": 2, "N": 4}
COc1ccc(-c2c(-c3cc(Cl)c(OC)c(OC)c3)n(C)[c-][n+]2C)cc1.COc1ccc(-c2c(-c3cc(Cl)c(OC)c(OC)c3)n(C)[c-][n+]2C)cc1
6 meas.
3D
#7590
Au(1)
donors: {"N": 4, "Cl": 4}
Cn1[c-][n+](Cc2ccccc2)c(Cl)c1Cl.Cn1[c-][n+](Cc2ccccc2)c(Cl)c1Cl
3 meas.
3D
#7589
Au(3)
donors: {"N": 2, "O": 1}
CC(C)(c1[c-]cccc1)c1cccc(-c2ccccn2)n1.[OH-]
16 meas.
3D
#7588
Au(1)
donors: {"S": 2, "N": 1, "P": 1}
[S-]c1nc2ccccc2s1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#7587
Au(3)
donors: {"S": 2, "N": 1, "O": 1, "Cl": 2}
S=C([S-])N1CCOCC1.[Cl-].[Cl-]
4 meas.
3D
#7586
Au(1)
donors: {"O": 3, "Br": 1, "P": 1}
[C-]#CCOc1c(-c2ccc(Br)cc2)oc2ccccc2c1=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7585
Ir(3)
donors: {"N": 10}
Cc1cc[c-]c(-c2ccccn2)c1.Cc1cc[c-]c(-c2ccccn2)c1.c1ccc(CN(Cc2ccccn2)c2ccnc(-c3cc(N(Cc4ccccn4)Cc4ccccn4)ccn3)c2)nc1
5 meas.
3D
#7584
Au(1)
donors: {"F": 4, "P": 1, "Br": 2}
Fc1c(F)c(F)c(P(c2ccccc2)c2ccccc2)c(Br)c1F.[Br-]
6 meas.
3D
#7583
Au(3)
donors: {"N": 6}
N=C(N)N=C([NH-])Nc1ccccc1.[c-]1ccccc1-c1ccccn1
3 meas.
3D
#7582
Au(1)
donors: {"O": 2, "N": 3, "P": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[C-]#Cc1ccccc1
2 meas.
3D
#7581
Au(3)
donors: {"N": 3, "S": 2, "O": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]CC[N-]S(=O)(=O)c2ccc(C)cc2)cc1
1 meas.
3D
#7580
Au(1)
donors: {"F": 5, "N": 2, "S": 1, "Cl": 1}
Fc1c(F)c(F)c(-[n+]2[c-]sc(-c3ccccc3)n2)c(F)c1F.[Cl-]
1 meas.
3D
#7579
Au(1)
donors: {"Cl": 1, "P": 1, "N": 2}
[Cl-].c1ccc(P(c2ccccc2)c2ccccc2CNCCc2ccccn2)cc1
13 meas.
3D
#7578
Au(3)
donors: {"O": 2, "N": 1, "S": 2, "Cl": 2}
COC(=O)[C@@H]1CCCN1C(=S)[S-].[Cl-].[Cl-]
2 meas.
3D
#7577
Au(3)
donors: {"O": 2, "N": 3, "S": 2}
COc1ccc(N2CCN(C(=S)[S-])CC2)cc1.O=C(c1[c-]cccc1)c1ccccn1
5 meas.
3D
#7576
Au(1)
donors: {"N": 1, "P": 1, "Cl": 1}
CC(C)NCc1ccccc1P(c1ccccc1)c1ccccc1.[Cl-]
13 meas.
3D
#7575
Au(1)
donors: {"N": 4, "S": 1, "Cl": 1}
CC(=NNC(N)=S)c1ccccn1.[Cl-]
3 meas.
3D
#7574
Au(1)
donors: {"N": 4}
CCN1[C-]=[N+](CC)[C@@H](c2ccccc2)[C@@H]1c1ccccc1.CCN1[C-]=[N+](CC)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
2 meas.
3D
#7573
Ir(3)
donors: {"N": 5, "S": 2}
[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.c1ccc(-c2nc3ccccc3[nH]2)nc1
2 meas.
3D
#7572
Au(3)
donors: {"O": 2, "N": 3, "Cl": 3}
CCOC(=O)N/N=C(\C)N.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#7571
Au(1)
donors: {"N": 1, "S": 2, "P": 1}
CCN(CC)C(=S)[S-].CCP(CC)CC
17 meas.
3D
#7570
Au(3)
donors: {"N": 6, "S": 2, "O": 1}
CCN(CC)C(=S)NC([N-]/N=C(\[S-])N1CCOCC1)c1ccccc1.[C-]#N
1 meas.
3D
#7569
Au(3)
donors: {"O": 2, "N": 2, "Cl": 1}
CC(C)C(C[O-])[N-]C(=O)c1ccccn1.[Cl-]
2 meas.
3D
#7568
Au(1)
donors: {"O": 1, "N": 2, "Cl": 1}
OCCn1[c-][n+](Cc2c3ccccc3cc3ccccc23)cc1.[Cl-]
4 meas.
3D
#7567
Au(1)
donors: {"P": 1, "S": 1, "N": 2}
C=CCP(c1ccccc1)c1ccccc1.[S-]c1nc2ccccc2[nH]1
4 meas.
3D
#7566
Au(1)
donors: {"N": 6, "F": 2, "O": 2}
CCC[n+]1[c-]n(CC)c(-c2cccc(F)c2)c1-c1ccc(OC)nc1.CCC[n+]1[c-]n(CC)c(-c2cccc(F)c2)c1-c1ccc(OC)nc1
3 meas.
3D
#7565
Au(1)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.[C-]#CCOCc1ccccc1
2 meas.
3D
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37/189 (9414 total)