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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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#7364
Au(1)
donors: {"N": 3, "Br": 1, "P": 1}
Cn1ncc(Br)c1N.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#7363
Au(1)
donors: {"O": 2, "N": 3, "P": 1, "Cl": 1}
O=C(O)C[N+]12CN3CN(CP(C3)C1)C2.[Cl-]
2 meas.
3D
#7362
Au(1)
donors: {"O": 3, "N": 4, "P": 1, "Cl": 1}
COC(=O)C(Cc1ccccc1)NC(=O)C[N+]12CN3CN(CP(C3)C1)C2.[Cl-]
2 meas.
3D
#7361
Au(1)
donors: {"O": 6, "N": 2, "S": 2, "P": 1}
COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C1CCN(C(=S)[S-])CC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7360
Au(1)
donors: {"N": 8, "O": 2}
[NH3+][C@H](Cc1cn(Cc2ccccc2)[c-][n+]1Cc1ccccc1)C(=O)NCc1ccccc1.[NH3+][C@H](Cc1cn(Cc2ccccc2)[c-][n+]1Cc1ccccc1)C(=O)NCc1c...
5 meas.
3D
#7359
Au(1)
donors: {"N": 2, "O": 5, "Cl": 1}
CC[n+]1[c-]n(CCCCCOC(=O)[C@]23CC[C@@H](C)[C@H](C)[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)C...
5 meas.
3D
#7358
Au(1)
donors: {"N": 3, "P": 1, "O": 2}
C1N2CN3CN1CP(C2)C3.[C-]#CC1CC2C3CCc4cc(O)ccc4C3CCC2(C)C1O
2 meas.
3D
#7357
Au(1)
donors: {"F": 2, "N": 2, "Cl": 1}
Fc1ccccc1-n1[c-][n+](-c2ccccc2F)c2c1-c1cccc3cccc-2c13.[Cl-]
1 meas.
3D
#7356
Au(3)
donors: {"N": 1, "Cl": 2}
CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.[Cl-].[Cl-]
6 meas.
3D
#7355
Au(1)
donors: {"Br": 1, "P": 2}
[Br-].c1ccc(P(c2ccccc2)c2ccccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7354
Au(1)
donors: {"P": 2, "Br": 1}
Cc1ccc([P+](Cc2ccccc2P(c2ccccc2)c2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Br-]
3 meas.
3D
#7353
Au(1)
donors: {"N": 2, "O": 2, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[Cl-]
4 meas.
3D
#7352
Au(3)
donors: {"O": 2, "N": 2, "Cl": 3}
COC(=O)c1cn(C)[c-][n+]1C.[Cl-].[Cl-].[Cl-]
4 meas.
3D
#7351
Au(1)
donors: {"P": 1, "Cl": 1}
CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Cl-]
5 meas.
3D
#7350
Au(3)
donors: {"N": 2, "S": 4}
N#Cc1ccc([S-])c([S-])c1.N#Cc1ccc([S-])c([S-])c1
5 meas.
3D
#7349
Au(3)
donors: {"N": 2, "O": 2, "Cl": 1, "S": 1}
CC(C)=CCC1=C(Nc2cc3ccc[c-]c3c3ncccc23)C(=O)c2ccccc2C1=O.[Cl-].[S-]C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3
3 meas.
3D
#7348
Au(1)
donors: {"N": 4}
Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.c1cnc2[n-]ccc2c1
6 meas.
3D
#7347
Au(1)
donors: {"N": 4, "O": 1, "S": 1}
CCn1[c-][n+](CC)c2ccccc21.NCCNC(=O)c1ccc([S-])cc1
7 meas.
3D
#7346
Au(1)
donors: {"N": 2, "Cl": 1}
Cn1[c-][n+](Cc2ccccc2)c2ccccc21.[Cl-]
3 meas.
3D
#7345
Au(1)
donors: {"F": 4, "P": 1, "Br": 1, "Cl": 1}
Fc1c(F)c(F)c(P(c2ccccc2)c2ccccc2)c(Br)c1F.[Cl-]
6 meas.
3D
#7344
Au(1)
donors: {"Br": 1, "N": 3, "O": 1, "Cl": 1}
Cc1ccc(C)c2c1c1cc(Br)ccc1n2CCCCCCC[n+]1[c-]n(CC(O)c2ccccc2)cc1.[Cl-]
3 meas.
3D
#7343
Au(3)
donors: {"N": 4, "Cl": 2}
CC(C)n1[c-][n+](C(C)C)c2ccccc21.[Cl-].[Cl-].[c-]1c2c(n3[n+]1CCCC3)CCCC2
1 meas.
3D
#7342
Ir(3)
donors: {"O": 1, "N": 5}
CCCC(=O)NCc1ccnc(-c2cc(C)ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
1 meas.
3D
#7341
Au(1)
donors: {"N": 2}
[C-]#Cc1ccccc1.[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1
2 meas.
3D
#7340
Au(1)
donors: {"N": 4}
[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1.[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1
4 meas.
3D
#7339
Au(1)
donors: {"O": 1, "S": 1, "N": 2}
CC(=O)[S-].[c-]1n(Cc2ccccc2)cc[n+]1Cc1ccccc1
1 meas.
3D
#7338
Au(1)
donors: {"S": 1, "N": 5}
[S-]c1ccccn1.[c-]1n(Cc2ccccn2)cc[n+]1-c1c2ccccc2nc2ccccc12
2 meas.
3D
#7337
Au(3)
donors: {"N": 3, "S": 2}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(C)nc([S-])c1.Cc1cc(C)nc([S-])c1
1 meas.
3D
#7336
Au(3)
donors: {"N": 1, "S": 3, "P": 1}
CCN(CC)C(=S)[S-].S=P(c1[c-]cccc1)(c1ccccc1)c1ccccc1
6 meas.
3D
#7335
Au(1)
donors: {"O": 3, "N": 3, "S": 2}
COc1cc(O)c(C(C)=O)cc1C[n+]1[c-]n(C)cc1.S=C([S-])N1CCCC1
2 meas.
3D
#7334
Au(1)
donors: {"N": 4}
Cc1cc(C)c(-n2[c-][n+](Cc3ccccc3)cc2)c(C)c1.Cc1cc(C)c(-n2[c-][n+](Cc3ccccc3)cc2)c(C)c1
1 meas.
3D
#7333
Ir(3)
donors: {"N": 6, "O": 1}
Cc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
7 meas.
3D
#7332
Au(1)
donors: {"O": 4, "N": 1, "Cl": 1, "P": 1}
COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7331
Au(1)
donors: {"N": 2, "S": 1, "O": 3, "Cl": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1S(=O)(=O)c1ccc(Cl)cc1.COc1cc[c-]cc1
4 meas.
3D
#7330
Au(1)
donors: {"O": 6, "P": 1, "Cl": 1}
COc1cccc(OC)c1P(c1c(OC)cccc1OC)c1c(OC)cccc1OC.[Cl-]
6 meas.
3D
#7329
Au(1)
donors: {"N": 4, "O": 3, "P": 1}
[C-]#Cc1ccc(Nc2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7328
Au(1)
donors: {"N": 3, "O": 2, "Cl": 1}
CCCCCCCN1C(=O)c2cccc3c(N4[C-]=[N+](CC)CC4)ccc(c23)C1=O.[Cl-]
4 meas.
3D
#7327
Au(3)
donors: {"Cl": 3, "N": 3}
[Cl-].[Cl-].[Cl-].[c-]1n2ccccc2c[n+]1-c1cccnc1
3 meas.
3D
#7326
Au(1)
donors: {"O": 9, "S": 1, "N": 2}
CC(=O)OC[C@H]1O[C@@H]([S-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.Cc1ccc(Cn2[c-][n+](Cc3ccc(C)cc3)c(-c3ccc(C)cc3)c2...
2 meas.
3D
#7325
Au(3)
donors: {"N": 1}
[CH2-]CC.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
6 meas.
3D
#7324
Au(1)
donors: {"N": 1, "S": 1, "P": 1, "Cl": 1}
C(=N/c1cccs1)\c1ccccc1P(c1ccccc1)c1ccccc1.[Cl-]
2 meas.
3D
#7323
Au(1)
donors: {"N": 2, "O": 2, "S": 1}
[C-]1=[N+](C2CCCCC2)CCN1C1CCCCC1.[CH3-]->[Ti+4]12345678(<-[O-]C(=O)c9ccc([S-])cc9)(<-[CH-]9[C]1=[C]2[C]3=[C]94)<-[CH-]1[...
6 meas.
3D
#7322
Au(1)
donors: {"P": 4, "N": 8}
c1cc(P(CCP(c2ccncc2)c2ccncc2)c2ccncc2)ccn1.c1cc(P(CCP(c2ccncc2)c2ccncc2)c2ccncc2)ccn1
6 meas.
3D
#7321
Au(1)
donors: {"N": 1, "O": 1, "P": 1}
[C-]#CCNC(=O)C(C)c1ccc(CC(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7320
Au(3)
donors: {"N": 3, "O": 6, "Cl": 2}
CN(C)CCNCCNC(=O)CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O.[Cl-].[Cl-]
4 meas.
3D
#7319
Au(1)
donors: {"N": 6, "O": 2, "F": 2}
Cn1c(=O)c2c(n(C)[c-][n+]2C)n(C)c1=O.[C-]#Cc1ccc(C2=C3C(C)=C(CC)C(C)=[N+]3[B-](F)(F)n3c(C)c(CC)c(C)c32)cc1
3 meas.
3D
#7318
Ir(3)
donors: {"N": 5, "S": 2}
[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1.c1ccc(-c2nc3ccccc3[nH]2)nc1
2 meas.
3D
#7317
Au(1)
donors: {"N": 4, "Cl": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.Clc1c[n-]c2ncccc12
5 meas.
3D
#7316
Au(3)
donors: {"O": 1, "N": 4}
COc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)cc1
5 meas.
3D
#7315
Au(3)
donors: {"O": 1, "N": 5, "S": 1, "Cl": 1}
Cc1ccc([O-])c(C=NN=C([S-])N(N2CCCCCC2)N2CCCCCC2)c1.[Cl-]
5 meas.
3D
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42/189 (9414 total)