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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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Au
Ir
Os
Re
Rh
Ru
Ox. State
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#7764
Au(1)
donors: {"N": 2}
Cn1[c-][n+](C)cc1.[C-]#Cc1ccc(CCCCCC)cc1
1 meas.
3D
#7763
Au(1)
donors: {"N": 2}
Cn1[c-][n+](C)cc1.[C-]#CC(C)(C)C
3 meas.
3D
#7762
Au(3)
donors: {"O": 1, "N": 3, "Cl": 2}
CC(=O)NCCNCCN(C)C.[Cl-].[Cl-]
4 meas.
3D
#7761
Au(1)
donors: {"N": 2, "I": 1}
CCn1[c-][n+](CC)c(-c2ccc(-c3ccccc3)cc2)c1-c1ccc(-c2ccccc2)cc1.[I-]
3 meas.
3D
#7760
Au(1)
donors: {"Cl": 1, "S": 1, "N": 2}
[Cl-].[c-]1sc(-c2ccccc2)n[n+]1-c1ccccc1
6 meas.
3D
#7759
Au(3)
donors: {"N": 2, "Cl": 2}
N[C@H](c1cccc2ccccc12)[C@@H](N)c1cccc2ccccc12.[Cl-].[Cl-]
3 meas.
3D
#7758
Au(3)
donors: {"N": 5, "S": 1, "O": 2, "Cl": 1}
N=C([S-])N1N=C(c2ccccn2)CC1c1cccc([N+](=O)[O-])c1.[Cl-]
2 meas.
3D
#7757
Au(1)
donors: {"P": 1}
[Se-][c]12->[Co+3]3456789(<-[CH-]%10[C]3=[C]4[C]5=[C]%106)<-[cH-]1[c]7[c]8[c]29.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7756
Au(3)
donors: {"N": 4, "S": 1, "Br": 1, "Cl": 1}
NC([S-])=NN=C(C=Cc1ccc(Br)cc1)c1ccccn1.[Cl-]
5 meas.
3D
#7755
Au(1)
donors: {"P": 1, "S": 2, "N": 1}
C=CCP(c1ccccc1)c1ccccc1.[S-]c1nc2ccccc2s1
4 meas.
3D
#7754
Au(3)
donors: {"N": 2, "S": 2}
CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.CCN(CC)C(=S)[S-]
6 meas.
3D
#7753
Au(1)
donors: {"N": 2, "O": 3, "S": 1, "P": 1}
CC(C)[C@H](NC(=O)c1cccnc1[S-])C(=O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#7752
Au(1)
donors: {"N": 3, "P": 1}
C1N2CN3CN1CP(C2)C3.[C-]#Cc1ccc(C)cc1
1 meas.
3D
#7751
Au(3)
donors: {"S": 2, "N": 3}
S=C([S-])N1CCCCC1.[c-]1ccccc1Nc1ccccn1
3 meas.
3D
#7750
Au(1)
donors: {"N": 4}
CCn1[c-][n+](CC)c2ccccc21.CCn1[c-][n+](CC)c2ccccc21
18 meas.
3D
#7749
Au(3)
donors: {"Cl": 1, "S": 1, "N": 2}
[Cl-].[S-]c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
3D
#7748
Au(3)
donors: {"O": 1, "N": 3, "S": 2}
O=C1CCN(C(=S)[S-])CC1.[c-]1ccccc1Nc1ccccn1
3 meas.
3D
#7747
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.c1c[n-]cn1
4 meas.
3D
#7746
Au(1)
donors: {"O": 2, "N": 2, "S": 1, "P": 1}
COc1ccc(-c2nnc([S-])o2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7745
Au(1)
donors: {"N": 2, "O": 2, "P": 1}
[C-]#Cc1ccc(NC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
9 meas.
3D
#7744
Au(3)
donors: {"O": 4, "N": 2, "Cl": 2}
COC1O[C@H](CNCCN)[C@H]2OC(C)(C)O[C@@H]12.[Cl-].[Cl-]
4 meas.
3D
#7743
Au(3)
donors: {"N": 4, "S": 1, "Cl": 1}
N/C([S-])=N/N=C(\c1ccccc1)c1ccccn1.[Cl-]
5 meas.
3D
#7742
Au(3)
donors: {"P": 2, "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.Cc1c[c-]c(-c2ccccn2)cc1.[Cl-]
4 meas.
3D
#7741
Au(1)
donors: {"N": 5, "P": 1, "S": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccnc([S-])n1
2 meas.
3D
#7740
Au(1)
donors: {"N": 2, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccc(-c3ccccc3)cc2)c1-c1ccc(-c2ccccc2)cc1.[Cl-]
3 meas.
3D
#7739
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccncc3)cc2)cc1
3 meas.
3D
#7738
Au(1)
donors: {"N": 5, "P": 1, "S": 1}
CN(C)P(N(C)C)N(C)C.[S-]c1nc2ccccc2[nH]1
4 meas.
3D
#7737
Au(1)
donors: {"N": 5, "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+](CCOC(=O)N3CCOCC3)cc2)c(C)c1
1 meas.
3D
#7736
Au(1)
donors: {"N": 6, "S": 1}
Nc1ccnc([S-])n1.[C-](\NC1CCCCC1)=[N+](\Cc1ccccn1)C1CCCCC1
4 meas.
3D
#7735
Au(3)
donors: {"N": 6, "S": 2}
CCN(CC)C(=S)NC([N-]/N=C(\[S-])N1CCCCCC1)c1ccccc1.[C-]#N
1 meas.
3D
#7734
Au(1)
donors: {"O": 1, "N": 4, "S": 1, "P": 1}
O=c1ccnc([S-])[nH]1.c1ccc(P(Nc2ccccn2)c2ccccc2)cc1
2 meas.
3D
#7733
Au(3)
donors: {"O": 2, "N": 1}
[O-]c1ccccc1[O-].[c-]1ccccc1Cc1ccccn1
1 meas.
3D
#7732
Au(1)
donors: {"O": 12, "P": 2}
COc1cccc(OC)c1P(c1c(OC)cccc1OC)c1c(OC)cccc1OC.COc1cccc(OC)c1P(c1c(OC)cccc1OC)c1c(OC)cccc1OC
6 meas.
3D
#7731
Au(1)
donors: {"N": 4, "S": 1}
CCCCCCCCC[n+]1[c-]n(-c2ccccn2)cc1.[S-]c1ccccn1
1 meas.
3D
#7730
Au(3)
donors: {"N": 2, "S": 2}
CCN(CC)C(=S)[S-].[c-]1ccccc1-c1ccccn1
1 meas.
3D
#7729
Au(3)
donors: {"Cl": 3, "N": 2}
[Cl-].[Cl-].[Cl-].[c-]1n(-c2ccccc2)cc2cccc[n+]12
4 meas.
3D
#7728
Au(3)
donors: {"N": 3, "O": 4, "S": 2, "Cl": 2}
CN(CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OC(C)(C)C)C(=S)[S-].[Cl-].[Cl-]
4 meas.
3D
#7727
Au(1)
donors: {"N": 2, "O": 2, "F": 5, "Cl": 1}
Cn1[c-][n+](Cc2ccc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)c2ccccc21.[Cl-]
1 meas.
3D
#7726
Au(3)
donors: {"N": 3, "Cl": 3}
Cc1c2ccccn2[c-][n+]1-c1ccccn1.[Cl-].[Cl-].[Cl-]
4 meas.
3D
#7725
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.Cc1cc(C)c(N2[C-]=[N+](c3c(C)cc(C)cc3C)CC2)c(C)c1
2 meas.
3D
#7724
Ir(3)
donors: {"N": 6, "O": 2, "Cl": 2, "S": 2}
Cc1ccnc(-c2cc(COC(=O)c3nn(Cc4ccc(Cl)cc4Cl)c4ccccc34)ccn2)c1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
5 meas.
3D
#7723
Au(1)
donors: {"O": 2, "N": 2, "Cl": 1}
CCOC(=O)c1ccc2c(c1)[n+](CC)[c-]n2CC.[Cl-]
3 meas.
3D
#7722
Au(3)
donors: {"Cl": 3, "N": 2}
[Cl-].[Cl-].[Cl-].c1ccc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc1
1 meas.
3D
#7721
Au(1)
donors: {"N": 9}
Cc1cc(C)c(-c2[c-][n+](-c3c(C)cc(C)cc3C)nn2C)c(C)c1.Cc1cc(C)c(-c2[c-][n+](-c3c(C)cc(C)cc3C)nn2CCCCCCN=[N+]=[N-])c(C)c1
4 meas.
3D
#7720
Au(3)
donors: {"S": 6}
CC(C)c1sc([S-])c([S-])c1C(C)C.CC(C)c1sc([S-])c([S-])c1C(C)C
6 meas.
3D
#7719
Au(1)
donors: {"O": 1, "N": 4, "P": 1}
CCCCOc1ncnc2[n-]cnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7718
Au(1)
donors: {"Cl": 1, "N": 2}
[Cl-].[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1
4 meas.
3D
#7717
Au(1)
donors: {"N": 4, "O": 4, "F": 4}
CC[n+]1[c-]n(CCCCCOC(=O)/C=C/c2ccccc2)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.CC[n+]1[c-]n(CCCCCOC(=O)/C=C/c2ccccc2)c(-c2ccc(F)cc2...
2 meas.
3D
#7716
Au(1)
donors: {"N": 2, "Br": 1, "Cl": 1}
CCn1[c-][n+](CC)c2cc(Br)ccc21.[Cl-]
4 meas.
3D
#7715
Au(1)
donors: {"O": 1, "N": 3, "Cl": 1}
COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-]
2 meas.
3D
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34/189 (9414 total)