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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
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Ru
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#9314
Au(3)
donors: {"N": 2, "Cl": 3}
CCC(C)c1cccc(-c2ccccn2)n1.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#9313
Au(1)
donors: {"N": 2, "Cl": 1}
CCn1[c-][n+](CC)c(-[c]23->[Fe+2]456789%10(<-[CH-]%11[C]4=[C]5[C]6=[C]%117)<-[cH-]2[c]8[c]9[c]3%10)c1-c1ccccc1.[Cl-]
9 meas.
3D
#9312
Au(1)
donors: {"O": 3, "N": 2, "S": 1, "P": 1}
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9311
Au(1)
donors: {"N": 3, "O": 4, "P": 1}
[C-]#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#9310
Au(3)
donors: {"N": 3, "S": 1, "Cl": 2, "O": 1}
Cc1ccccc1NC([S-])=NN=C(c1ccccc1)c1cc(Cl)ccc1[O-].[Cl-]
4 meas.
3D
#9309
Ir(3)
donors: {"N": 7, "O": 1, "F": 4}
Cn1cc(CC(N)C(=O)Nc2cc3cccnc3c3ncccc23)c2ccccc21.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
7 meas.
3D
#9308
Au(1)
donors: {"N": 6, "O": 2}
[c-]1n(-c2ccc(N3CCOCC3)cc2)cc[n+]1Cc1ccccc1.[c-]1n(-c2ccc(N3CCOCC3)cc2)cc[n+]1Cc1ccccc1
3 meas.
3D
#9307
Au(1)
donors: {"N": 3, "S": 1, "O": 2}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.N[C@@H](CS)C(=O)[O-]
5 meas.
3D
#9306
Au(1)
donors: {"O": 5, "N": 3, "P": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[C-]#CCOc1cc(=O)oc2ccccc12
2 meas.
3D
#9305
Au(1)
donors: {"N": 4, "S": 1, "P": 1}
c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccncc4)c4nsnc34)cc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9304
Au(3)
donors: {"N": 2, "Cl": 3}
Cc1ccc2ccc3ccc(C)nc3c2n1.[Cl-].[Cl-].[Cl-]
7 meas.
3D
#9303
Au(1)
donors: {"N": 4, "P": 1, "S": 2}
C1N2CN3CN1CP(C2)C3.[S-]C1=NCCS1
2 meas.
3D
#9302
Ir(3)
donors: {"O": 2, "N": 4}
O=C1c2ccc[c-]c2-c2nccc3cccc1c23.O=C1c2ccc[c-]c2-c2nccc3cccc1c23.c1ccc(-c2ccccn2)nc1
4 meas.
3D
#9301
Au(3)
donors: {"N": 6, "S": 2, "O": 1}
CCN(CC)C(=S)/N=C(\[N-]/N=C(\[S-])N1CCOCC1)c1ccccc1.CN(C)Cc1[c-]cccc1
4 meas.
3D
#9300
Au(1)
donors: {"O": 3, "S": 1, "N": 3}
COC(=O)[C@H](C[S-])NC(C)=O.[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1
3 meas.
3D
#9299
Au(1)
donors: {"P": 1, "S": 1, "N": 2, "O": 1}
C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.[S-]/C(=N\c1ccccc1)N1CCOCC1
1 meas.
3D
#9298
Au(3)
donors: {"Cl": 3, "N": 2}
[Cl-].[Cl-].[Cl-].[c-]1c2c(n3[n+]1CCCC3)CCCC2
1 meas.
3D
#9297
Au(1)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.[C-]#Cc1ccccn1
2 meas.
3D
#9296
Ir(3)
donors: {"N": 6, "O": 3, "S": 1}
Cc1ccnc(-c2cc(C(=O)OCCCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
5 meas.
3D
#9295
Au(1)
donors: {"N": 2, "Cl": 2, "Br": 1}
Cn1[c-][n+](Cc2ccccc2)c(Cl)c1Cl.[Br-]
3 meas.
3D
#9294
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)ccc1n2CCCCCCCC[S-]
3 meas.
3D
#9293
Au(1)
donors: {"N": 3, "O": 2, "S": 1, "P": 1}
[C-]#Cc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9292
Au(1)
donors: {"N": 3, "O": 2, "Br": 1}
CCCn1[c-][n+](CC)c(-c2ccccc2OC)c1-c1ccc(OC)cn1.[Br-]
1 meas.
3D
#9291
Au(1)
donors: {"F": 4, "P": 1, "Br": 1, "I": 1}
Fc1c(F)c(F)c(P(c2ccccc2)c2ccccc2)c(Br)c1F.[I-]
6 meas.
3D
#9290
Au(3)
donors: {"F": 10, "N": 4}
Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.[C-](Nc1ccc2ccccc2c1)=[N+](Cc1ccccn1)Cc1ccccn1
3 meas.
3D
#9289
Au(3)
donors: {"Cl": 2, "P": 1, "N": 2}
[Cl-].[Cl-].c1ccc(P(=Nc2cccc3cccnc23)(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9288
Ir(3)
donors: {"N": 6}
CC(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
8 meas.
3D
#9287
Au(3)
donors: {"N": 4, "S": 5}
CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].Cc1ccnc([S-])n1
1 meas.
3D
#9286
Au(1)
donors: {"N": 2, "Br": 1}
CCN1[C-]=[N+](CC)[C@H](c2ccccc2)[C@H]1c1ccccc1.[Br-]
2 meas.
3D
#9285
Au(1)
donors: {"O": 4, "N": 4, "P": 1}
O=[N+]([O-])c1cc([N+](=O)[O-])[n-]n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
10 meas.
3D
#9284
Au(1)
donors: {"N": 12}
Cc1cc(C)c(-[n+]2[c-]n(-c3ccc(-n4nc(C)cc4C)nn3)cc2)c(C)c1.Cc1cc(C)c(-[n+]2[c-]n(-c3ccc(-n4nc(C)cc4C)nn3)cc2)c(C)c1
1 meas.
3D
#9283
Ir(3)
donors: {"O": 1, "N": 5, "S": 2}
CCCC(=O)NCc1ccnc(-c2cc(C)ccn2)c1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1
1 meas.
3D
#9282
Au(1)
donors: {"N": 2, "F": 3}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.F[C-](F)F
4 meas.
3D
#9281
Au(1)
donors: {"O": 3, "N": 3, "S": 1, "P": 1}
COC(=O)[C@H](CCCCN)NC(=O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#9280
Au(1)
donors: {"N": 4}
[c-]1n(-c2cccc3ccccc23)cc2cccc[n+]12.[c-]1n(-c2cccc3ccccc23)cc2cccc[n+]12
4 meas.
3D
#9279
Ir(3)
donors: {"N": 2, "O": 1, "Cl": 1}
CCCCCCCCCC[N-]C(=O)c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
3D
#9278
Au(1)
donors: {"Br": 1, "N": 4}
Brc1cnc2[n-]ccc2c1.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1
5 meas.
3D
#9277
Au(1)
donors: {"P": 1, "O": 3, "S": 1, "N": 2}
CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.COC(=O)C(CCSC)NC(=O)c1ccccc1Nc1cccc(C)c1C
1 meas.
3D
#9276
Au(1)
donors: {"N": 3, "Cl": 1}
Cc1cc(C)c(-n2[c-][n+](CCNC(C)(C)C)cc2)c(C)c1.[Cl-]
3 meas.
3D
#9275
Au(1)
donors: {"O": 1, "P": 2}
[C-]#CC1(O)c2ccccc2-c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#9274
Au(3)
donors: {"N": 6, "S": 3}
CCN(CC)C(=S)NC([N-]/N=C(\[S-])N(C)c1ccccc1)c1ccccc1.N#C[S-]
1 meas.
3D
#9273
Au(3)
donors: {"S": 2, "O": 4, "N": 4}
Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1.[c-]1ccccc1Nc1ccccn1
1 meas.
3D
#9272
Au(1)
donors: {"N": 3, "Cl": 1}
Cc1ccc(C[n+]2[c-]n(Cc3ccccn3)c3ccccc32)cc1.[Cl-]
2 meas.
3D
#9271
Au(1)
donors: {"N": 5, "O": 4, "F": 1, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[C-]#CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
3 meas.
3D
#9270
Au(1)
donors: {"N": 6}
CCN(CC)CCn1[c-][n+](-c2c(C)cc(C)cc2C)cc1.CCN(CC)CCn1[c-][n+](-c2c(C)cc(C)cc2C)cc1
6 meas.
3D
#9269
Au(3)
donors: {"N": 4, "S": 5}
CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[S-]c1ncccn1
1 meas.
3D
#9268
Au(1)
donors: {"N": 4}
Cc1c2ccccn2[c-][n+]1-c1ccccc1.Cc1c2ccccn2[c-][n+]1-c1ccccc1
3 meas.
3D
#9267
Au(1)
donors: {"N": 5, "S": 1, "O": 2, "P": 1}
Cc1ccnc([S-])n1.O=C(O)Cc1ccc(CC[N+]23CN4CN(CP(C4)C2)C3)cc1
2 meas.
3D
#9266
Au(1)
donors: {"N": 4}
CCC[n+]1[c-]n(Cc2ccccc2)c2ccccc21.CCC[n+]1[c-]n(Cc2ccccc2)c2ccccc21
5 meas.
3D
#9265
Au(1)
donors: {"Br": 2, "N": 2, "Cl": 1}
Brc1ccc(-n2[c-][n+](-c3ccc(Br)cc3)c3c2-c2cccc4cccc-3c24)cc1.[Cl-]
1 meas.
3D
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3/189 (9414 total)