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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
Os
Re
Rh
Ru
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#8714
Au(1)
donors: {"O": 9, "S": 1, "N": 2}
C=C(OC)OC[C@H]1O[C@@H]([S-])[C@H](OC(=C)OC)[C@@H](OC(=C)OC)[C@@H]1OC(=C)OC.[c-]1n(C23CC4CC(CC(C4)C2)C3)cc[n+]1C12CC3CC(C...
3 meas.
3D
#8713
Au(1)
donors: {"N": 2, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccccc2)c1-c1ccccc1.[Cl-]
6 meas.
3D
#8712
Au(1)
donors: {"F": 5, "N": 4}
Fc1[c-]c(F)c(F)c(F)c1F.c1ccc(Cn2cnnn2)cc1
1 meas.
3D
#8711
Au(1)
donors: {"O": 3, "P": 1}
[C-]#CCOC(=O)[C@]12CC[C@@H](C(=C)C)[C@@H]1[C@H]1CC[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...
4 meas.
3D
#8710
Au(3)
donors: {"N": 4, "O": 1, "Cl": 3}
N/C(Cc1ccccc1)=N/NC(=O)c1ccncc1.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#8709
Au(3)
donors: {"N": 2, "S": 2, "Cl": 3}
Cc1nc(-c2csc(C)n2)cs1.[Cl-].[Cl-].[Cl-]
4 meas.
3D
#8708
Au(1)
donors: {"N": 6, "S": 1, "O": 2, "P": 1}
Cc1ccnc([S-])n1.O=[N+]([O-])c1ccc(CC[N+]23CN4CN(CP(C4)C2)C3)cc1
2 meas.
3D
#8707
Au(1)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.[C-]#Cc1ccccc1
9 meas.
3D
#8706
Au(1)
donors: {"Br": 1, "N": 3, "O": 1, "Cl": 1}
Cc1ccc(C)c2c1c1cc(Br)ccc1n2CC[n+]1[c-]n(CC(O)c2ccccc2)cc1.[Cl-]
3 meas.
3D
#8705
Au(1)
donors: {"N": 3}
c1ccc(-c2nc3ccccc3[n-]2)nc1
2 meas.
3D
#8704
Au(1)
donors: {"F": 13, "N": 3, "P": 1, "Cl": 1}
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[N@+]12C[N@@]3C[N@@](C[P@@](C3)C1)C2.[Cl-]
1 meas.
3D
#8703
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.Cc1ccnc2c1ccc1cccnc12
1 meas.
3D
#8702
Au(1)
donors: {"Cl": 1, "N": 2}
[Cl-].[c-]1n(Cc2ccccc2)cc[n+]1Cc1ccccc1
1 meas.
3D
#8701
Au(1)
donors: {"N": 4, "S": 1}
Cn1[c-][n+](C)cc1.[S-]c1ncccn1
2 meas.
3D
#8700
Au(3)
donors: {"Cl": 1, "P": 4}
[Cl-].c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8699
Au(1)
donors: {"N": 3, "O": 3, "S": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.O=C1[N-]S(=O)(=O)c2ccccc21
5 meas.
3D
#8698
Au(1)
donors: {"O": 4, "N": 3, "S": 2}
COc1cc(O)c(C(C)=O)cc1C[n+]1[c-]n(C)cc1.S=C([S-])N1CCOCC1
2 meas.
3D
#8697
Au(1)
donors: {"O": 2, "N": 5, "P": 1, "S": 1}
COC(=O)C[N+]12CN3CN(CP(C3)C1)C2.[S-]c1ncccn1
2 meas.
3D
#8696
Au(3)
donors: {"N": 3}
[C-]#Cc1ccccn1.[C-]#Cc1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
3D
#8695
Au(3)
donors: {"N": 3}
N[C@@H]1CCCC[C@H]1N.[c-]1ccccc1Cc1ccccn1
15 meas.
3D
#8694
Au(1)
donors: {"N": 6, "S": 2, "O": 2}
NC(=S)N/N=C/c1ccco1.NC(=S)N/N=C/c1ccco1
3 meas.
3D
#8693
Au(3)
donors: {"O": 4, "N": 3, "S": 2, "Cl": 2}
CC(C)(C)OC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C1CCCN1C(=S)[S-].[Cl-].[Cl-]
4 meas.
3D
#8692
Au(3)
donors: {"Cl": 2, "O": 1, "N": 3, "S": 1}
[Cl-].[O-]c1ccc(Cl)cc1C(=NN=C([S-])Nc1ccccc1)c1ccccc1
4 meas.
3D
#8691
Au(3)
donors: {"N": 3, "S": 2}
CCN(CC)C(=S)[S-].c1ccc(-c2ccccn2)nc1
5 meas.
3D
#8690
Au(3)
donors: {"O": 6, "N": 3, "S": 2}
COC1O[C@H](CNC(=O)C2CCN(C(=S)[S-])CC2)[C@@H](O)[C@H](O)[C@H]1O.[c-]1ccccc1Cc1ccccn1
4 meas.
3D
#8689
Au(1)
donors: {"O": 2, "N": 3, "F": 1, "Cl": 1}
COc1ccc(-c2c3ccc(N/[C-]=[NH+]/c4ccccn4)ccc-3c(-c3ccc(OC)cc3)c2-c2ccc(F)cc2)cc1.[Cl-]
4 meas.
3D
#8688
Au(1)
donors: {"O": 1, "N": 2}
[C-]#Cc1ccc(OC)cc1.[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1
2 meas.
3D
#8687
Au(1)
donors: {"O": 12, "S": 1, "N": 2}
CC(=O)OC[C@@H]1O[C@H]([S-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.COc1ccc2c(Cn3[c-][n+](C)cc3)cc(=O)oc2c1
4 meas.
3D
#8686
Au(1)
donors: {"P": 4}
C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1
30 meas.
3D
#8685
Au(3)
donors: {"Br": 4, "S": 1, "N": 2}
Brc1ccc(SCCn2[c-][n+](Cc3ccccc3)cc2)cc1.[Br-].[Br-].[Br-]
1 meas.
3D
#8684
Au(1)
donors: {"O": 9, "S": 1, "N": 2, "F": 2}
CC(=O)OCC1OC([S-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1
3 meas.
3D
#8683
Au(3)
donors: {"P": 2, "Cl": 1, "N": 1}
CCC[C@@H]1CC[C@@H](CCC)P1c1ccccc1P1[C@H](CCC)CC[C@H]1CCC.[Cl-].[c-]1ccccc1-c1ccccn1
4 meas.
3D
#8682
Au(3)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
3 meas.
3D
#8681
Au(1)
donors: {"N": 4, "O": 6, "S": 2}
CCn1[c-][n+](CC)c2ccccc21.O=C(N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1CCN(C(=S)[S-])CC1
3 meas.
3D
#8680
Au(3)
donors: {"Cl": 1, "O": 1, "N": 3, "S": 1}
[Cl-].[O-]c1ccccc1/C=N/N=C(\[S-])Nc1ccccc1
1 meas.
3D
#8679
Au(1)
donors: {"N": 3, "O": 1, "Cl": 2, "Br": 1, "S": 1}
C[n+]1[c-]n(CC(O)c2ccccc2)c(Cl)c1Cl.Cc1ccc(C)c2c1c1cc(Br)ccc1n2CCCCCCC[S-]
3 meas.
3D
#8678
Au(1)
donors: {"N": 2, "F": 2, "O": 1, "I": 1}
CCn1[c-][n+](CC)c(-c2cc(F)cc(F)c2)c1-c1ccc(OC)cc1.[I-]
2 meas.
3D
#8677
Au(1)
donors: {"N": 2, "Cl": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.[Cl-]
34 meas.
3D
#8676
Au(3)
donors: {"N": 4, "O": 2}
[NH-]C(=O)NC([NH-])=O.[c-]1ccccc1-c1ccccn1
7 meas.
3D
#8675
Au(1)
donors: {"N": 2, "O": 6, "Cl": 1}
CC[n+]1[c-]n(CCCCOC(=O)[C@@]2(C)CC[C@]3(C)CC[C@]4(C)C(=CC(=O)[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]3C2...
5 meas.
3D
#8674
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.CN1CCN(C)C1=S
3 meas.
3D
#8673
Au(3)
donors: {"Cl": 1, "N": 1, "P": 2}
[Cl-].[c-]1ccccc1-c1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#8672
Au(1)
donors: {"Cl": 1, "N": 2}
[Cl-].[Se]=c1n(C2CCCCC2)ccn1C1CCCCC1
7 meas.
3D
#8671
Au(3)
donors: {"N": 2, "Cl": 3}
CC(C)n1[c-][n+](C(C)C)c2ccccc21.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#8670
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.CN1CCCNC1=[Se]
3 meas.
3D
#8669
Ir(3)
donors: {"F": 4, "N": 8, "O": 4, "Cl": 4}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(OCc1ccnc(-c2cc(COC(=O)c3nn(Cc4ccc(Cl)cc4Cl)c4ccccc34)ccn2)c1)c...
5 meas.
3D
#8668
Au(3)
donors: {"N": 3, "O": 6, "Cl": 2}
CN(C)CCNCCNC(=O)c1ccc(CO[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1.[Cl-].[Cl-]
4 meas.
3D
#8667
Au(1)
donors: {"O": 11, "S": 1, "N": 2}
CC(=O)OCC1OC([S-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
3 meas.
3D
#8666
Au(3)
donors: {"O": 4, "N": 2, "Cl": 2}
CCOC(=O)[C@H](CC1CCCCC1)NCCN[C@@H](CC1CCCCC1)C(=O)OCC.[Cl-].[Cl-]
3 meas.
3D
#8665
Ir(3)
donors: {"N": 4, "O": 4, "S": 2}
Cc1ccnc(-c2cc(COC(=O)Cc3cccc4c(=O)c5ccc(C)c(C)c5oc34)ccn2)c1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
5 meas.
3D
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15/189 (9414 total)