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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
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Metal
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#8114
Au(1)
donors: {"F": 6, "N": 2, "S": 1, "P": 2}
FC(F)(F)c1cc(NC(=S)NCCP(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8113
Au(1)
donors: {"N": 2, "O": 6, "Cl": 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
#8112
Au(1)
donors: {"O": 2, "N": 2, "Cl": 3}
OCC[n+]1[c-]n(CC(O)c2ccccc2)c(Cl)c1Cl.[Cl-]
5 meas.
3D
#8111
Au(1)
donors: {"N": 2, "O": 2, "S": 1}
CC(C)c1cccc(C(C)C)c1N1[C-]=[N+](c2c(C(C)C)cccc2C(C)C)CC1.O=C(O)c1ccc([S-])cc1
6 meas.
3D
#8110
Au(3)
donors: {"O": 4, "N": 4, "S": 2}
COc1ccc(N2CCN(c3ccc(OC)cc3)C2=[SH-])cc1.COc1ccc(N2CCN(c3ccc(OC)cc3)C2=[SH-])cc1
2 meas.
3D
#8109
Au(1)
donors: {"O": 3, "P": 1, "I": 1}
COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.[I-]
6 meas.
3D
#8108
Ir(3)
donors: {"O": 2, "N": 7, "S": 1, "F": 9}
COC(=O)c1ccc2c(c1)nc(-c1nc3ccccc3s1)n2Cc1ccc(C(F)(F)F)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]cc4ccccc4c3)nc3ccccc32)cc1.FC(F)(F)c...
4 meas.
3D
#8107
Au(1)
donors: {"O": 2, "N": 2, "Cl": 1}
CCOC(=O)c1cn(C)[c-][n+]1C.[Cl-]
4 meas.
3D
#8106
Au(3)
donors: {"Cl": 3, "N": 3}
[Cl-].[Cl-].[Cl-].[c-]1n(Cc2ccccc2)cn[n+]1Cc1ccccc1
2 meas.
3D
#8105
Au(1)
donors: {"Cl": 1, "N": 4, "O": 2}
[Cl-].[c-]1n(CCN2CCOCC2)c2ccccc2[n+]1CCN1CCOCC1
2 meas.
3D
#8104
Au(1)
donors: {"O": 2, "F": 5, "N": 2, "Cl": 1}
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(C[n+]2[c-]n(Cc3c4ccccc4cc4ccccc34)c3ccccc32)cc1.[Cl-]
6 meas.
3D
#8103
Au(3)
donors: {"N": 1}
[H-].[c-]1ccccc1-c1cc(-c2ccccc2)cc(-c2[c-]cccc2)n1
13 meas.
3D
#8102
Au(1)
donors: {"N": 4, "Cl": 1}
Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.Clc1c[n-]c2ncccc12
6 meas.
3D
#8101
Au(1)
donors: {"O": 1, "N": 2, "Cl": 1}
OCCn1[c-][n+](Cc2c3ccccc3cc3ccccc23)c2ccccc21.[Cl-]
4 meas.
3D
#8100
Au(1)
donors: {"N": 4, "O": 1, "Cl": 1}
C[n+]1[c-]n(-c2ccc(-c3nc(C(C)(C)C)no3)cc2)cc1.[Cl-]
11 meas.
3D
#8099
Au(3)
donors: {"O": 4, "N": 2, "Cl": 2}
CCC(C)COC(=O)[C@H](CC1CCCCC1)NCCN[C@@H](CC1CCCCC1)C(=O)OCC(C)CC.[Cl-].[Cl-]
3 meas.
3D
#8098
Au(1)
donors: {"F": 2, "N": 2, "Cl": 1}
Fc1ccc(-n2[c-][n+](-c3ccc(F)cc3)c3c2-c2cccc4cccc-3c24)cc1.[Cl-]
1 meas.
3D
#8097
Au(1)
donors: {"N": 1, "O": 1, "P": 1}
[C-]#Cc1ccc(/C=N/c2ccccc2O)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8096
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)CCCC[P+](c6ccccc6)(...
3 meas.
3D
#8095
Au(1)
donors: {"N": 2, "F": 2, "P": 1}
[C-]#CC1=C(C)C2=C(c3ccccc3)c3c(C)cc(C)n3[B-](F)(F)[N+]2=C1C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#8094
Au(1)
donors: {"O": 2, "N": 5, "P": 1, "S": 1}
O=[N+]([O-])c1ccc(CC[N+]23CN4CN(CP(C4)C2)C3)cc1.[S-]c1ccccn1
2 meas.
3D
#8093
Au(1)
donors: {"F": 6, "N": 2, "S": 1, "P": 1, "Cl": 1}
FC(F)(F)c1cc(NC(=S)NCCP(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1.[Cl-]
3 meas.
3D
#8092
Au(1)
donors: {"N": 3, "F": 2, "O": 3, "Cl": 1}
CC1CN(c2c(F)c(N)c3c(c2F)C(C2CC2)C=C(C(=O)O)C3=O)CC(C)N1.[Cl-]
5 meas.
3D
#8091
Au(1)
donors: {"O": 3, "S": 2, "P": 2}
O=S(=O)([O-])c1ccc(P(c2ccccc2)c2ccccc2)cc1.S=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1
5 meas.
3D
#8090
Au(1)
donors: {"O": 4, "N": 1, "S": 1, "P": 1, "Cl": 1}
O=C(NCS(=O)(=O)[O-])[c]12->[Fe+2]3456789(<-[cH-]1[c]3[c]4[c]25)<-[cH-]1[c]6[c]7[c]8[c]->91P(c1ccccc1)c1ccccc1.[Cl-]
3 meas.
3D
#8089
Au(1)
donors: {"P": 4, "N": 4}
c1ccc(P(CCP(c2ccccn2)c2ccccn2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccn2)c2ccccn2)c2ccccc2)cc1
1 meas.
3D
#8088
Au(1)
donors: {"O": 1, "N": 3, "P": 1}
CCOc1ncnc2cc[n-]c12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
10 meas.
3D
#8087
Au(3)
donors: {"N": 3, "S": 2, "O": 4}
CCN(CC)C(=S)[S-].O=C(O)c1cccnc1-c1ncccc1C(=O)O
4 meas.
3D
#8086
Au(1)
donors: {"N": 2, "S": 1, "O": 1, "P": 1}
CCCCCCCCCCCc1nnc([S-])o1.CCP(CC)CC
3 meas.
3D
#8085
Au(1)
donors: {"N": 2, "O": 4}
Cn1[c-][n+](C)cc1.[C-]#CCOc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O
1 meas.
3D
#8084
Au(1)
donors: {"P": 1, "N": 4, "O": 3}
CCP(CC)CC.[C-]#Cc1ccc(Nc2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)cc1
2 meas.
3D
#8083
Au(3)
donors: {"P": 2, "Cl": 1, "N": 1}
CC(C)[C@@H]1CC[C@@H](C(C)C)P1c1ccccc1P1[C@H](C(C)C)CC[C@H]1C(C)C.[Cl-].[c-]1ccccc1Cc1ccccn1
4 meas.
3D
#8082
Au(1)
donors: {"O": 11, "N": 3, "P": 1, "S": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.CC(=O)OC[C@H]1O[C@@H]([S-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
2 meas.
3D
#8081
Au(1)
donors: {"N": 6, "S": 1, "O": 2, "P": 1}
Cc1cc(C)nc([S-])n1.O=[N+]([O-])c1ccc(CC[N+]23CN4CN(CP(C4)C2)C3)cc1
2 meas.
3D
#8080
Au(3)
donors: {"N": 2}
CC(C)(C)c1c[c-]c(-c2[c-]cc(C(C)(C)C)cc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
3D
#8079
Au(1)
donors: {"N": 5, "P": 1, "S": 1}
CN(C)P(N(C)C)N(C)C.Cc1cc(C)nc([S-])n1
4 meas.
3D
#8078
Au(1)
donors: {"N": 2, "Cl": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](C)cc1.[Cl-]
3 meas.
3D
#8077
Au(1)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.[C-]#CC1(O)CCCC1
2 meas.
3D
#8076
Au(3)
donors: {"O": 1, "N": 4, "S": 1, "Cl": 1}
COc1ccc(C2CC(c3ccccn3)=NN2C(=N)[S-])cc1.[Cl-]
2 meas.
3D
#8075
Au(1)
donors: {"N": 2, "F": 1, "Cl": 1}
CCn1[c-][n+](CC)c2cc(F)ccc21.[Cl-]
4 meas.
3D
#8074
Au(1)
donors: {"N": 1, "O": 2, "S": 1, "P": 1}
[C-]#CCNC(=O)CC1=C(C)C(=Cc2ccc(S(C)=O)cc2)c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8073
Au(1)
donors: {"N": 6, "O": 4}
CCC[n+]1[c-]n(CC)c(-c2ccccc2OC)c1-c1ccc(OC)nc1.CCC[n+]1[c-]n(CC)c(-c2ccccc2OC)c1-c1ccc(OC)nc1
3 meas.
3D
#8072
Au(3)
donors: {"Cl": 2, "N": 4}
[Cl-].[Cl-].c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3
2 meas.
3D
#8071
Au(1)
donors: {"N": 2, "O": 4, "F": 2, "Br": 1}
CC[n+]1[c-]n(CCCCCOC(=O)/C=C/c2ccc(O)c(OC)c2)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[Br-]
2 meas.
3D
#8070
Au(1)
donors: {"N": 5, "P": 1, "S": 1}
C1N2CN3CN1CP(C2)C3.[S-]c1nc2ccccc2[nH]1
2 meas.
3D
#8069
Au(3)
donors: {"O": 4, "N": 4}
[O-]c1cc(OCCN2CCCCC2)ccc1C=NCCN=Cc1ccc(OCCN2CCCCC2)cc1[O-]
4 meas.
3D
#8068
Au(1)
donors: {"S": 1, "P": 2, "N": 1}
S=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
5 meas.
3D
#8067
Au(1)
donors: {"N": 2}
[C-]#C.[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1
2 meas.
3D
#8066
Au(1)
donors: {"S": 1, "N": 3, "P": 1}
[S-]c1ccccn1.c1ccc(P(Nc2ccccn2)c2ccccc2)cc1
2 meas.
3D
#8065
Au(1)
donors: {"N": 12}
Cc1cc(C)c(-c2[c-][n+](-c3c(C)cc(C)cc3C)nn2CCCCCCN=[N+]=[N-])c(C)c1.Cc1cc(C)c(-c2[c-][n+](-c3c(C)cc(C)cc3C)nn2CCCCCCN=[N+...
2 meas.
3D
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27/189 (9414 total)