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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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Ru
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#8664
Au(3)
donors: {"N": 1, "O": 2}
CN(C)Cc1[c-]cccc1.[O-]c1ccccc1[O-]
1 meas.
3D
#8663
Au(1)
donors: {"N": 2, "P": 2}
c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
4 meas.
3D
#8662
Au(3)
donors: {"N": 3, "S": 2, "O": 4}
CN(C)Cc1[c-]cccc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1
1 meas.
3D
#8661
Au(1)
donors: {"N": 6, "F": 1, "S": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.Fc1ccc(CSc2ncnc3[n-]cnc23)cc1
5 meas.
3D
#8660
Au(1)
donors: {"O": 1, "N": 2, "S": 1}
OC1CCCCC1[n+]1[c-]n(Cc2ccccc2)cc1.[S-]c1cccc2ccccc12
1 meas.
3D
#8659
Au(1)
donors: {"N": 6, "P": 1, "O": 2, "S": 1}
C1N2CN3CN1CP(C2)C3.[C-]#CCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
3 meas.
3D
#8658
Ir(3)
donors: {"N": 2, "Cl": 1}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Cc1ccc(/N=C/c2[c-]cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.[Cl-]
3 meas.
3D
#8657
Au(1)
donors: {"O": 3, "P": 1, "Cl": 1}
COP(OC)OC.[Cl-]
3 meas.
3D
#8656
Au(1)
donors: {"O": 2, "S": 3, "N": 1, "Cl": 1, "P": 1}
O=S(=O)(NC(=S)[S-])c1ccc(Cl)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8655
Au(1)
donors: {"O": 2, "N": 2, "F": 1, "Cl": 1}
COc1ccc(-c2c3ccccc(N/[C-]=[NH+]/c4c(C(C)C)cccc4C(C)C)c-3c(-c3ccc(OC)cc3)c2-c2ccccc2F)cc1.[Cl-]
4 meas.
3D
#8654
Au(3)
donors: {"N": 3, "O": 4, "S": 2, "Br": 2}
CN(CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OC(C)(C)C)C(=S)[S-].[Br-].[Br-]
4 meas.
3D
#8653
Au(1)
donors: {"N": 3, "Cl": 1}
CC(C)c1cccc(C(C)C)c1[NH+]=[C-]NCc1cccc(N)c1.[Cl-]
6 meas.
3D
#8652
Au(1)
donors: {"N": 4}
Cc1cc(C(c2ccccc2)c2ccccc2)c(-n2[c-][n+](-c3c(C(c4ccccc4)c4ccccc4)cc(C)cc3C(c3ccccc3)c3ccccc3)cc2)c(C(c2ccccc2)c2ccccc2)c...
4 meas.
3D
#8651
Au(1)
donors: {"N": 2, "Cl": 1}
C[n+]1[c-]n2ccccc2c1.[Cl-]
12 meas.
3D
#8650
Au(1)
donors: {"N": 3, "O": 2, "S": 1, "P": 1}
CC(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#8649
Au(1)
donors: {"N": 2, "I": 1}
CCN1[C-]=[N+](CC)[C@@H](c2ccccc2)[C@@H]1c1ccccc1.[I-]
2 meas.
3D
#8648
Au(3)
donors: {"O": 1, "N": 3, "S": 1, "Cl": 1}
O=c1ccnc([S-])[nH]1.[Cl-].[c-]1ccccc1Cc1ccccn1
1 meas.
3D
#8647
Au(1)
donors: {"N": 2, "O": 2, "P": 1}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#8646
Au(1)
donors: {"F": 15, "N": 4, "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(-c2ccccn2)cc1.[S-]c1ccccn1
1 meas.
3D
#8645
Au(1)
donors: {"N": 2, "P": 1, "Cl": 1}
CN(C)CCCNCc1ccccc1P(c1ccccc1)c1ccccc1.[Cl-]
13 meas.
3D
#8644
Au(1)
donors: {"N": 3, "P": 1, "O": 3}
C1N2CN3CN1CP(C2)C3.[C-]#CCOc1ccc2c(C)cc(=O)oc2c1
2 meas.
3D
#8643
Au(1)
donors: {"N": 4, "F": 4}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1
6 meas.
3D
#8642
Au(1)
donors: {"N": 6}
Cn1[c-][n+](-c2c3ccccc3nc3ccccc23)cc1.Cn1[c-][n+](-c2c3ccccc3nc3ccccc23)cc1
4 meas.
3D
#8641
Au(3)
donors: {"O": 8, "N": 4}
Oc1cc(O)cc(-c2c3nc(c(-c4cc(O)cc(O)c4)c4ccc([n-]4)c(-c4cc(O)cc(O)c4)c4nc(c(-c5cc(O)cc(O)c5)c5ccc2[n-]5)C=C4)C=C3)c1
1 meas.
3D
#8640
Au(3)
donors: {"O": 1, "N": 3}
O=C(c1[c-]cccc1)c1ccccn1.c1ccc(C[N-][C@@H]2CCCC[C@H]2NCc2ccccc2)cc1
4 meas.
3D
#8639
Au(3)
donors: {"S": 2, "P": 2}
S=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.S=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1
28 meas.
3D
#8638
Au(3)
donors: {"S": 2, "N": 3, "Br": 1}
S=C([S-])N1CCN(c2ccc(Br)cc2)CC1.[c-]1ccccc1Cc1ccccn1
5 meas.
3D
#8637
Au(3)
donors: {"O": 4, "N": 1}
O=C([O-])CC(=O)[O-].[c-]1ccccc1-c1ccccn1
2 meas.
3D
#8636
Au(1)
donors: {"N": 2, "F": 2, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccc(-c3ccc(F)cc3)cc2)c1-c1ccc(-c2ccc(F)cc2)cc1.[Cl-]
3 meas.
3D
#8635
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.S=C1NCCN1
3 meas.
3D
#8634
Au(1)
donors: {"O": 2, "N": 1, "S": 1, "P": 1}
O=C(O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#8633
Au(1)
donors: {"O": 5, "N": 2, "S": 1, "P": 1}
COC(=O)[C@H](C)NC(=O)[C@H](C[S-])NC(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8632
Au(1)
donors: {"N": 2, "F": 2, "I": 1}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[I-]
6 meas.
3D
#8631
Au(1)
donors: {"N": 3, "Cl": 1}
[C-](\NC1CCCCC1)=[N+](\Cc1ccccn1)C1CCCCC1.[Cl-]
4 meas.
3D
#8630
Au(1)
donors: {"N": 1, "P": 1, "Cl": 1}
CC(C)(C)N=Cc1ccccc1P(c1ccccc1)c1ccccc1.[Cl-]
13 meas.
3D
#8629
Au(1)
donors: {"N": 6}
Cn1[c-][n+](-c2ccc3ccccc3n2)cc1.Cn1[c-][n+](-c2ccc3ccccc3n2)cc1
5 meas.
3D
#8628
Au(1)
donors: {"O": 6, "P": 2}
COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
6 meas.
3D
#8627
Au(1)
donors: {"O": 9, "S": 5, "P": 1, "N": 1}
O=S(=O)([O-])c1cccc(P(c2cccc(S(=O)(=O)[O-])c2)c2cccc(S(=O)(=O)[O-])c2)c1.[Na+].[Na+].[Na+].[S-]C1=NCCS1
2 meas.
3D
#8626
Au(1)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1[N+]1=[C-]C(C)(C)CC1(C)C.CC(C)c1cccc(C(C)C)c1[N+]1=[C-]C(C)(C)CC1(C)C
3 meas.
3D
#8625
Au(1)
donors: {"N": 1, "P": 1}
[C-]#CCn1c2ccccc2c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#8624
Au(3)
donors: {"O": 2, "N": 1, "Cl": 2}
COc1c[c-]c(CCN)cc1OC.[Cl-].[Cl-]
8 meas.
3D
#8623
Au(1)
donors: {"N": 6, "P": 1, "O": 2, "F": 1, "Cl": 1}
C1N2CN3CN1CP(C2)C3.[C-]#CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
3 meas.
3D
#8622
Au(1)
donors: {"P": 1, "N": 2}
CCP(CC)CC.CN(C)c1ccncc1
2 meas.
3D
#8621
Au(3)
donors: {"N": 4}
CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.[NH-]c1ccccc1[N-]c1c2ccccc2nc2ccccc12
3 meas.
3D
#8620
Au(3)
donors: {"S": 2, "N": 3}
S=C([S-])N(Cc1ccccc1)Cc1ccccc1.c1ccc(-c2ccccn2)nc1
5 meas.
3D
#8619
Ir(3)
donors: {"O": 1, "N": 7, "F": 1}
O=C1Nc2ccc(F)cc2/C1=N\N=C\c1ncc[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
3D
#8618
Au(1)
donors: {"N": 1, "O": 2, "P": 1}
[C-]#CCNC(=O)C=Cc1ccc(OC)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#8617
Au(3)
donors: {"N": 2, "S": 2}
Cc1c[c-]c(-c2ccccn2)cc1.S=C([S-])N(Cc1ccccc1)Cc1ccccc1
1 meas.
3D
#8616
Au(1)
donors: {"O": 5, "N": 5, "P": 1}
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(-c2[c-][nH]nn2)cc1)NC(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8615
Au(1)
donors: {"P": 1, "N": 2}
c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnc2[n-]ccc2c1
3 meas.
3D
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16/189 (9414 total)