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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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#7714
Au(3)
donors: {"O": 2, "N": 4}
CC(=O)Oc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)cc1
2 meas.
3D
#7713
Au(1)
donors: {"N": 4}
CC(C)Cn1[c-][n+](CC(C)C)c2ccccc21.[c-]1c2c(n3[n+]1CCCC3)CCCC2
1 meas.
3D
#7712
Au(1)
donors: {"O": 5, "N": 2, "S": 1, "P": 1}
CC1(C)CC(C(O)c2nnc([S-])o2)C(C2COC(C)(C)O2)O1.CCP(CC)CC
3 meas.
3D
#7711
Au(3)
donors: {"Cl": 2, "N": 1}
[Cl-].[Cl-].[c-]1ccccc1Cc1ccccn1
20 meas.
3D
#7710
Au(1)
donors: {"N": 5}
Cc1cc(C)c(N2[C-]=[N+](c3c(C)cc(C)cc3C)CC2)c(C)c1.[N-]=[N+]=[N-]
3 meas.
3D
#7709
Au(3)
donors: {"O": 2, "N": 4}
COc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)cc1OC
5 meas.
3D
#7708
Au(3)
donors: {"Cl": 2, "N": 3}
[Cl-].[Cl-].c1ccc(-c2nc3c4cccc5ccc6cccc(c3[n-]2)c6c54)nc1
4 meas.
3D
#7707
Au(1)
donors: {"O": 4, "N": 4}
COC(C/[N+](=[C-]\Nc1c(C(C)C)cccc1C(C)C)C1CCCCCCCCCCC1)OC.COC(C/[N+](=[C-]\Nc1c(C(C)C)cccc1C(C)C)C1CCCCCCCCCCC1)OC
5 meas.
3D
#7706
Au(1)
donors: {"O": 4, "N": 1, "S": 2, "P": 1}
COC1O[C@H](CN2CCSC2=S)[C@H]2OC(C)(C)O[C@@H]12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7705
Au(1)
donors: {"P": 1, "O": 1}
CP(C)C.[C-]#Cc1ccc(OC)cc1
2 meas.
3D
#7704
Au(1)
donors: {"N": 3, "O": 2, "S": 1, "P": 1}
CCN(CC)C(=O)[C@H](C)NC(=O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7703
Au(1)
donors: {"N": 4, "O": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.OC1CNC(=[Se])NC1
3 meas.
3D
#7702
Au(3)
donors: {"S": 2, "N": 1, "Cl": 2}
S=C([S-])N1CCCC1.[Cl-].[Cl-]
9 meas.
3D
#7701
Au(1)
donors: {"P": 1, "N": 4, "S": 1}
CCP(CC)CC.CNC(=S)N(C)CCNc1c2ccccc2[nH+]c2ccccc12
2 meas.
3D
#7700
Au(1)
donors: {"O": 4, "N": 2, "I": 1}
COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)[n+](C)[c-]n2C)cc1.[I-]
2 meas.
3D
#7699
Au(3)
donors: {"N": 3, "O": 1}
CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.[O-]c1ccccc1[N-]c1c2ccccc2nc2ccccc12
3 meas.
3D
#7698
Au(1)
donors: {"N": 6, "F": 3, "S": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.FC(F)(F)c1ccc(CSc2ncnc3[n-]cnc23)cc1
5 meas.
3D
#7697
Ir(3)
donors: {"N": 6, "O": 2, "Cl": 2}
Cc1ccnc(-c2cc(COC(=O)c3nn(Cc4ccc(Cl)cc4Cl)c4ccccc34)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
3D
#7696
Au(1)
donors: {"N": 2, "S": 1}
CCn1[c-][n+](CC)c(-c2ccc(-c3ccccc3)cc2)c1-c1ccc(-c2ccccc2)cc1.[S-]c1ccc2ccccc2c1
3 meas.
3D
#7695
Ir(3)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccn1)c1c(C(C)C)cccc1C(C)C.Cc1c(C)c(C)[c-](C)c1C
4 meas.
3D
#7694
Au(1)
donors: {"N": 6, "P": 1, "S": 1, "O": 3}
C1N2CN3CN1CP(C2)C3.CCN(CC)/C([S-])=N/C(=O)c1ccc([N+](=O)[O-])cc1
1 meas.
3D
#7693
Au(1)
donors: {"N": 3, "Cl": 1}
CC(C)(C)[NH+]=[C-]NCc1ccc(N)cc1.[Cl-]
6 meas.
3D
#7692
Au(1)
donors: {"O": 6}
[C-]#CCOc1cc(=O)oc2ccccc12.[C-]#CCOc1cc(=O)oc2ccccc12
2 meas.
3D
#7691
Au(1)
donors: {"O": 18, "S": 2, "N": 2, "Cl": 1}
CC(=O)OC[C@H]1O[C@@H](Sc2cc(C)c(N3[C-]=[N+](c4c(C)cc(S[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)...
4 meas.
3D
#7690
Au(3)
donors: {"N": 2, "Cl": 2}
Cc1c(C)c2cccnc2c2ncccc12.[Cl-].[Cl-]
5 meas.
3D
#7689
Au(3)
donors: {"N": 4}
Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([n-]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1
12 meas.
3D
#7688
Au(3)
donors: {"O": 6, "P": 1, "Cl": 3}
COc1cccc(OC)c1P(c1c(OC)cccc1OC)c1c(OC)cccc1OC.[Cl-].[Cl-].[Cl-]
6 meas.
3D
#7687
Au(1)
donors: {"O": 2, "N": 4, "P": 1, "S": 1}
COC(=O)C[N+]12CN3CN(CP(C3)C1)C2.[S-]c1ccccn1
2 meas.
3D
#7686
Au(3)
donors: {"O": 2, "N": 2, "S": 2}
CCOC(=O)C1CCN(C(=S)[S-])CC1.[c-]1ccccc1Cc1ccccn1
4 meas.
3D
#7685
Au(1)
donors: {"N": 2, "O": 2, "Br": 1}
CCn1[c-][n+](CC)c(-c2cccc(OC)c2)c1-c1cccc(OC)c1.[Br-]
3 meas.
3D
#7684
Au(1)
donors: {"N": 2, "O": 1, "F": 1}
CCn1[c-][n+](CC)c2ccc(OC)cc21.[C-]#Cc1ccc(F)cc1
4 meas.
3D
#7683
Au(1)
donors: {"N": 8, "O": 4}
Cn1c(=O)c2c(n(C)c1=O)[n+](C)[c-]n2C.Cn1c(=O)c2c(n(C)c1=O)[n+](C)[c-]n2C
5 meas.
3D
#7682
Au(1)
donors: {"P": 1, "N": 1, "S": 2}
CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.CC(C)N(C(=S)[S-])C(C)C
3 meas.
3D
#7681
Au(1)
donors: {"N": 6}
[c-]1n(CCn2cccc2)cc[n+]1Cc1ccccc1.[c-]1n(CCn2cccc2)cc[n+]1Cc1ccccc1
5 meas.
3D
#7680
Au(1)
donors: {"N": 4, "S": 1, "P": 1}
CNC(=S)N(C)CCNc1c2ccccc2[nH+]c2ccccc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7679
Au(1)
donors: {"N": 1, "O": 2, "P": 1}
[C-]#CCNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7678
Ir(3)
donors: {"N": 11, "O": 2, "Cl": 2}
Cc1cc2nc(C)c(-c3[c-]cccc3)nc2cc1C.Cc1cc2nc(C)c(-c3[c-]cccc3)nc2cc1C.O=C(CCCn1c(-c2ccccn2)nc2ccccc21)NCCNC(=O)c1nn(Cc2ccc...
1 meas.
3D
#7677
Au(1)
donors: {"N": 1, "P": 1, "Cl": 1}
C(=NCc1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.[Cl-]
13 meas.
3D
#7676
Au(3)
donors: {"O": 1, "N": 1, "Cl": 3}
OCCc1ccccn1.[Cl-].[Cl-].[Cl-]
7 meas.
3D
#7675
Au(1)
donors: {"N": 4, "Cl": 2, "S": 1}
Cn1[c-][n+](C)c(Cl)c1Cl.[S-]c1ncccn1
5 meas.
3D
#7674
Au(1)
donors: {"N": 2, "Cl": 1}
CCn1[c-][n+](CC)c2ccccc21.[Cl-]
18 meas.
3D
#7673
Au(1)
donors: {"N": 2, "I": 1}
CCN1[C-]=[N+](CC)C(c2ccccc2)C1c1ccccc1.[I-]
2 meas.
3D
#7672
Au(1)
donors: {"N": 4, "O": 6, "S": 1, "F": 1}
CCn1[c-][n+](CC)cc1.CCn1[c-][n+](CCCOC(=O)/C=C/c2ccc(Oc3c(C(=O)c4ccccc4)sc4cc(F)ccc34)cc2)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc...
2 meas.
3D
#7671
Au(3)
donors: {"N": 4}
C1=Cc2nc1c(-c1ccc(-c3ccccc3)cc1)c1ccc([n-]1)c(-c1ccc(-c3ccccc3)cc1)c1nc(c(-c3ccc(-c4ccccc4)cc3)c3ccc([n-]3)c2-c2ccc(-c3c...
5 meas.
3D
#7670
Au(3)
donors: {"N": 3}
CC(C)(C)c1c[c-]c(-c2cccc(-c3[c-]cc(C(C)(C)C)cc3)n2)cc1.Cn1[c-][n+](C)c2ccccc21
4 meas.
3D
#7669
Au(1)
donors: {"N": 4}
Cn1[c-][n+](C)c2ccccc21.Cn1[c-][n+](C)c2ccccc21
4 meas.
3D
#7668
Au(1)
donors: {"O": 11, "S": 2, "N": 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.O=S(=O)(c1ccccc1)N1C=CC2C1c1cccc3cccc(c13)P2c1ccc...
3 meas.
3D
#7667
Au(1)
donors: {"N": 3, "O": 2}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.O=C([O-])[C@@H]1CCCN1
5 meas.
3D
#7666
Au(1)
donors: {"N": 4, "P": 1}
Nc1n[nH]cc1-c1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#7665
Au(1)
donors: {"N": 2, "O": 5, "P": 1}
CCn1[c-][n+](CC)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](OC(=O)CCCCCCC[P+](c6ccccc...
3 meas.
3D
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35/189 (9414 total)