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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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#8864
Au(3)
donors: {"O": 1, "N": 2, "S": 2}
O=C(c1[c-]cccc1)c1ccccn1.S=C([S-])N1CCCCC1
5 meas.
3D
#8863
Au(1)
donors: {"N": 2, "O": 6, "P": 1}
CC[n+]1[c-]n(CCCCCOC(=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]3C...
5 meas.
3D
#8862
Au(3)
donors: {"N": 3, "S": 2}
Cc1cccc(-c2cccc(C)n2)n1.S=C([S-])N(Cc1ccccc1)Cc1ccccc1
5 meas.
3D
#8861
Au(1)
donors: {"O": 1, "S": 1, "N": 2, "Cl": 1}
O=S(CC[n+]1[c-]n(Cc2ccccc2)cc1)c1ccccc1.[Cl-]
11 meas.
3D
#8860
Au(1)
donors: {"N": 2, "O": 3}
CC(C)n1[c-][n+](C(C)C)cc1.[C-]#CCOc1c(-c2ccccc2)oc2ccccc2c1=O
1 meas.
3D
#8859
Au(1)
donors: {"N": 3, "Cl": 1}
Cc1c2ccccn2[c-][n+]1-c1ccccn1.[Cl-]
4 meas.
3D
#8858
Au(1)
donors: {"P": 1, "N": 5, "S": 1}
CCP(CC)CC.Nc1nc([S-])c2nc[nH]c2n1
11 meas.
3D
#8857
Au(3)
donors: {"S": 3, "O": 2, "N": 2, "Cl": 2}
Cc1ccc(S(=O)(=O)N2CCN(C(=S)[S-])CC2)cc1.[Cl-].[Cl-]
4 meas.
3D
#8856
Au(3)
donors: {"N": 5, "S": 2, "Cl": 1}
CCN(CC)C(=S)NC([N-]/N=C(\[S-])N1CCCC1)c1ccccc1.[Cl-]
1 meas.
3D
#8855
Au(1)
donors: {"P": 1, "S": 1, "N": 1}
C=CCP(c1ccccc1)c1ccccc1.[S-]c1ccccn1
4 meas.
3D
#8854
Au(1)
donors: {"O": 1, "S": 1, "N": 1, "F": 1, "P": 1}
CO/C([S-])=N/c1cccc(F)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
3D
#8853
Au(1)
donors: {"N": 2, "Br": 1}
CCn1[c-][n+](CC)c(-c2ccc(-c3ccccc3)cc2)c1-c1ccc(-c2ccccc2)cc1.[Br-]
3 meas.
3D
#8852
Au(1)
donors: {"Br": 1, "P": 1}
[Br-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8851
Au(3)
donors: {"P": 2, "N": 3, "O": 1}
C[P@](c1nc2ccccc2nc1[P@](C)C(C)(C)C)C(C)(C)C.O=C(c1[c-]cccc1)c1ccccn1
8 meas.
3D
#8850
Au(1)
donors: {"O": 5, "N": 2, "S": 1, "P": 1}
CC1(C)CC(C(O)C2COC(C)(C)O2)C(c2nnc([S-])o2)O1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8849
Au(1)
donors: {"N": 2, "F": 2, "O": 5, "P": 1}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)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]...
3 meas.
3D
#8848
Au(3)
donors: {"Cl": 1, "S": 1, "N": 4}
[Cl-].[S-]/C(=N\N=C(/c1ccccc1)c1ccccn1)Nc1ccccc1
5 meas.
3D
#8847
Au(3)
donors: {"N": 4, "S": 1, "Cl": 2}
C/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccn1.[Cl-].[Cl-]
3 meas.
3D
#8846
Au(1)
donors: {"O": 1, "N": 4, "S": 1, "P": 1}
O=c1[nH]c([S-])nc2nc3c(nc12)-c1cccc2cccc-3c12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#8845
Au(3)
donors: {"N": 2}
[c-]1ccccc1-c1[c-]cccc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
3D
#8844
Au(3)
donors: {"N": 3, "S": 2, "O": 2}
CCN(CC)C(=S)[S-].Oc1cccnc1-c1ncccc1O
9 meas.
3D
#8843
Au(3)
donors: {"N": 3, "S": 2, "O": 4}
CN(C)C(=S)[S-].O=C(O)c1cccnc1-c1ncccc1C(=O)O
4 meas.
3D
#8842
Au(1)
donors: {"N": 4}
CC(C)n1[c-][n+](C(C)C)c2ccccc21.[c-]1c2c(n3[n+]1CCCC3)CCCC2
3 meas.
3D
#8841
Au(1)
donors: {"N": 2, "O": 2, "Br": 1}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[Br-]
8 meas.
3D
#8840
Au(1)
donors: {"N": 4, "S": 1}
CCn1[c-][n+](CC)c(-c2ccc(-c3ccccc3)cc2)c1-c1ccc(-c2ccccc2)cc1.[S-]c1ncccn1
3 meas.
3D
#8839
Au(1)
donors: {"S": 2, "O": 6, "N": 3}
Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1.[c-]1ccccc1-c1nccc2cc3c(cc12)OCO3
5 meas.
3D
#8838
Au(1)
donors: {"P": 1, "O": 1, "N": 4, "S": 1}
C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.O=c1[nH]c([S-])nc2nccnc12
4 meas.
3D
#8837
Au(1)
donors: {"N": 4, "Cl": 1}
C[n+]1[c-]n(Cc2ccc(-c3ccccn3)nc2)cc1.[Cl-]
5 meas.
3D
#8836
Au(1)
donors: {"N": 4, "P": 1, "Cl": 1}
Cn1ccnc1P(c1ccccc1)c1nccn1C.[Cl-]
8 meas.
3D
#8835
Au(1)
donors: {"N": 2, "Cl": 1, "O": 1, "Br": 1}
CCn1[c-][n+](CC)c(-c2ccc(Cl)cc2)c1-c1ccc(OC)cc1.[Br-]
4 meas.
3D
#8834
Au(3)
donors: {"O": 4, "N": 1}
CC(=O)[O-].CC(=O)[O-].CC(C)(c1[c-]cccc1)c1ccccn1
7 meas.
3D
#8833
Au(1)
donors: {"Cl": 1, "P": 1, "N": 3}
[Cl-].c1ccc(P(c2ccccc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
3 meas.
3D
#8832
Au(1)
donors: {"N": 2, "Cl": 1}
CCCCCCCCC[n+]1[c-]n(Cc2ccccc2)cc1.[Cl-]
1 meas.
3D
#8831
Au(1)
donors: {"O": 8, "N": 4}
COc1cc(C[n+]2[c-]n(C)cc2)c(OC)c2c1C(=O)c1ccccc1C2=O.COc1cc(C[n+]2[c-]n(C)cc2)c(OC)c2c1C(=O)c1ccccc1C2=O
1 meas.
3D
#8830
Au(1)
donors: {"O": 18, "S": 2, "N": 4}
CC(=O)OC[C@H]1O[C@@H](SCC[n+]2[c-]n(C)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.CC(=O)OC[C@H]1O[C@@H](SCC[n+]2[c-]...
3 meas.
3D
#8829
Au(1)
donors: {"N": 5, "S": 1, "O": 1, "P": 1}
CN(C)c1ccc(/N=N/c2ccc(/N=C(\[S-])N3CCOCC3)cc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#8828
Au(1)
donors: {"N": 2, "Cl": 1}
Cn1[c-][n+](C)c2ccccc21.[Cl-]
7 meas.
3D
#8827
Au(3)
donors: {"O": 2, "N": 2}
CC(=O)[N-]c1ccccc1[O-].CC(C)(C)c1c[c-]c(-c2ccccn2)cc1
3 meas.
3D
#8826
Au(3)
donors: {"Cl": 3, "N": 2}
[Cl-].[Cl-].[Cl-].[c-]1n(-c2cccc3ccccc23)cc2cccc[n+]12
4 meas.
3D
#8825
Au(3)
donors: {"N": 6, "S": 2}
N/C([S-])=N/N=C(C(=N/N=C(/N)[S-])/c1ccccc1)\c1ccccc1
3 meas.
3D
#8824
Au(1)
donors: {"N": 4, "P": 1, "O": 3, "S": 1}
C1N2CN3CN1CP(C2)C3.O=C1[N-]S(=O)(=O)c2ccccc21
2 meas.
3D
#8823
Au(1)
donors: {"O": 2, "N": 4, "P": 1, "S": 2}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[S-]C1=NCCS1
2 meas.
3D
#8822
Au(1)
donors: {"O": 2, "S": 1, "N": 2}
O=C(O)c1ccc([S-])cc1.[C-]1=[N+](C2CCCCC2)CCN1C1CCCCC1
6 meas.
3D
#8821
Au(1)
donors: {"O": 2, "P": 1}
[C-]#CCOc1ccccc1C(=O)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#8820
Au(3)
donors: {"O": 4, "N": 1}
O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[c-]1ccccc1-c1ccccn1
2 meas.
3D
#8819
Au(1)
donors: {"Br": 1, "N": 4, "I": 1}
Brc1cnc2[n-]cc(I)c2c1.Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1
6 meas.
3D
#8818
Au(1)
donors: {"O": 4, "P": 1}
[C-]#CCOc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8817
Au(3)
donors: {"O": 1, "N": 2, "S": 2, "Cl": 2}
O=C(c1ccccc1)N1CCN(C(=S)[S-])CC1.[Cl-].[Cl-]
4 meas.
3D
#8816
Au(1)
donors: {"N": 6, "S": 4}
NC(=S)N/N=C/c1cccs1.NC(=S)N/N=C/c1cccs1
3 meas.
3D
#8815
Au(1)
donors: {"F": 1, "N": 2, "Cl": 1}
Fc1cc(C(c2ccccc2)c2ccccc2)c(-n2[c-][n+]3c(ccc4ccccc43)c2)c(C(c2ccccc2)c2ccccc2)c1.[Cl-]
2 meas.
3D
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12/189 (9414 total)