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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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#8414
Au(1)
donors: {"O": 2, "N": 2, "F": 1, "Cl": 1}
COc1ccc(-c2c3ccc(N/[C-]=[NH+]/c4c(C(C)C)cccc4C(C)C)ccc-3c(-c3ccc(OC)cc3)c2-c2ccc(F)cc2)cc1.[Cl-]
4 meas.
3D
#8413
Au(3)
donors: {"Cl": 2, "N": 4}
[Cl-].[Cl-].[c-]1c2c(n3[n+]1CCCC3)CCCC2.[c-]1c2c(n3[n+]1CCCC3)CCCC2
1 meas.
3D
#8412
Au(1)
donors: {"N": 3, "Cl": 1}
Cn1[c-][n+](Cc2ccc(C#N)cc2)cc1.[Cl-]
1 meas.
3D
#8411
Au(1)
donors: {"N": 4, "O": 8, "F": 4}
CC[n+]1[c-]n(CCCOC(=O)/C=C/c2ccc(O)c(OC)c2)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.CC[n+]1[c-]n(CCCOC(=O)/C=C/c2ccc(O)c(OC)c2)c(-c...
2 meas.
3D
#8410
Au(1)
donors: {"N": 3, "P": 1, "O": 3}
C1N2CN3CN1CP(C2)C3.[C-]#CCOc1ccc2ccc(=O)oc2c1
2 meas.
3D
#8409
Au(1)
donors: {"Cl": 1, "N": 2}
[Cl-].[c-]1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1
4 meas.
3D
#8408
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.CCN1CCN(CC)C1=S
3 meas.
3D
#8407
Au(1)
donors: {"N": 4, "O": 5}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.CCn1[c-][n+](CCOC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
1 meas.
3D
#8406
Au(3)
donors: {"N": 4, "S": 5}
Cc1cc(C)nc([S-])n1.S=C([S-])N(Cc1ccccc1)Cc1ccccc1.S=C([S-])N(Cc1ccccc1)Cc1ccccc1
1 meas.
3D
#8405
Au(1)
donors: {"N": 6, "S": 2}
NC(=S)N/N=C/c1ccccc1.NC(=S)N/N=C/c1ccccc1
3 meas.
3D
#8404
Au(1)
donors: {"N": 2, "Br": 1, "O": 3, "I": 1}
CCn1[c-][n+](CC)c(-c2cc(Br)c(OC)c(OC)c2)c1-c1ccc(OC)cc1.[I-]
2 meas.
3D
#8403
Au(3)
donors: {"P": 2}
CC(C)(C)c1c[c-]c(-c2[c-]cc(C(C)(C)C)cc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8402
Au(3)
donors: {"Cl": 2, "N": 3}
[Cl-].[Cl-].c1ccc(/N=N/c2ccccn2)cc1
4 meas.
3D
#8401
Au(1)
donors: {"O": 5, "S": 1, "N": 2, "Cl": 1, "P": 1}
COC(=O)C(CCSC)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12.c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1
1 meas.
3D
#8400
Ir(3)
donors: {"S": 2, "N": 4}
[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
3D
#8399
Au(1)
donors: {"N": 1, "S": 2, "P": 1}
CCCCCCCCN1CCSC1=S.CCP(CC)CC
3 meas.
3D
#8398
Au(1)
donors: {"O": 4, "N": 1, "S": 1, "P": 1}
CC(C)(C)OC(=O)N1C[C@@H]([S-])C[C@H]1C(=O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8397
Au(1)
donors: {"P": 1, "O": 3, "S": 1, "N": 1}
CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.COC(=O)C(CCSC)NC(=O)C(C)c1ccc(CC(C)C)cc1
1 meas.
3D
#8396
Au(1)
donors: {"N": 2}
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
#8395
Au(3)
donors: {"N": 8, "O": 3, "S": 1}
CC(C)(C)c1c[c-]c(-c2cncc(-c3[c-]cc(C(C)(C)C)cc3)n2)cc1.C[n+]1[c-]n(Cc2ccc(C(=O)NCCCCCCNC(=O)CCCCC3SCC4NC(=O)NC43)cc2)c2c...
6 meas.
3D
#8394
Au(1)
donors: {"N": 2, "O": 3, "I": 1}
CCn1[c-][n+](CC)c(-c2ccc(OC)c(OC)c2)c1-c1ccc(OC)cc1.[I-]
2 meas.
3D
#8393
Au(3)
donors: {"N": 6, "S": 2}
CCN(CC)C(=S)N=C([N-]N=C([S-])N1CCCCC1)c1ccccc1.C[NH+](C)Cc1[c-]cccc1
1 meas.
3D
#8392
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](C2CCCCCCCCCCC2)cc1.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](C2CCCCCCCCCCC2)cc1
3 meas.
3D
#8391
Au(3)
donors: {"N": 3, "O": 1, "Cl": 4}
C/C(N)=N\NC(=O)c1ccc(Cl)cc1.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#8390
Au(3)
donors: {"O": 2, "N": 3}
CC(=O)[N-]c1ccccc1[N-]C(C)=O.Cc1c[c-]c(-c2ccccn2)cc1
1 meas.
3D
#8389
Au(1)
donors: {"N": 4}
[c-]1c2c(n3[n+]1CCCC3)CCCC2.[c-]1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1
1 meas.
3D
#8388
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1N1[C-]=[N+](c2c(C(C)C)cccc2C(C)C)CC1.c1c[n-]cn1
4 meas.
3D
#8387
Au(1)
donors: {"P": 2, "N": 3}
c1ccc(P(c2ccccc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8386
Au(1)
donors: {"S": 2, "N": 4, "Cl": 4}
S=C1N(c2ccc(Cl)cc2)CCN1c1ccc(Cl)cc1.S=C1N(c2ccc(Cl)cc2)CCN1c1ccc(Cl)cc1
4 meas.
3D
#8385
Au(1)
donors: {"N": 2}
Cc1c(C)[n+](-c2c(C(C)C)cccc2C(C)C)[c-]n1-c1c(C(C)C)cccc1C(C)C.[Se-]c1ccccc1
4 meas.
3D
#8384
Au(1)
donors: {"N": 5, "S": 1, "P": 1}
Nc1ccnc([S-])n1.c1ccc(P(Nc2ccccn2)c2ccccc2)cc1
2 meas.
3D
#8383
Au(3)
donors: {"N": 2, "S": 2}
CN(C)C(=S)[S-].[c-]1ccccc1Cc1ccccn1
5 meas.
3D
#8382
Au(1)
donors: {"O": 2, "S": 1, "N": 2}
[CH3-]->[Ti+4]12345678(<-[O-]C(=O)c9ccc([S-])cc9)(<-[CH-]9[C]1=[C]2[C]3=[C]94)<-[CH-]1[C]5=[C]6[C]7=[C]18.[c-]1n(Cc2cccc...
3 meas.
3D
#8381
Au(3)
donors: {"N": 3, "Cl": 1}
CC(C)(C)c1c[c-]c(-c2[c-]cc(C(C)(C)C)cc2)cc1.C[n+]1[c-]n(-c2ccccn2)cc1.[Cl-]
2 meas.
3D
#8380
Au(1)
donors: {"Br": 1, "N": 3, "O": 1, "Cl": 3}
Cc1ccc(C)c2c1c1cc(Br)ccc1n2CC[n+]1[c-]n(CC(O)c2ccccc2)c(Cl)c1Cl.[Cl-]
3 meas.
3D
#8379
Au(3)
donors: {"N": 3}
CCn1[c-][n+](CC)cc1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
4 meas.
3D
#8378
Au(1)
donors: {"N": 6, "P": 1}
C1N2CN3CN1CP(C2)C3.c1ccc(-c2nc3ccccc3[n-]2)nc1
2 meas.
3D
#8377
Au(1)
donors: {"S": 8, "P": 4, "N": 8}
c1csc(P(CCP(c2nccs2)c2nccs2)c2nccs2)n1.c1csc(P(CCP(c2nccs2)c2nccs2)c2nccs2)n1
5 meas.
3D
#8376
Ir(3)
donors: {"N": 5, "S": 3}
[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.c1ccc2[nH]c(-c3cscn3)nc2c1
2 meas.
3D
#8375
Au(3)
donors: {"Cl": 1, "N": 4}
[Cl-].c1ccc(-c2cc(-c3ccc4ccccc4n3)cc(-c3ccccn3)n2)nc1
2 meas.
3D
#8374
Au(3)
donors: {"N": 3, "Cl": 2}
CCCCCCCCn1c(-c2ccccn2)nc2ccccc21.[Cl-].[Cl-]
4 meas.
3D
#8373
Au(1)
donors: {"N": 3, "Cl": 1}
Cc1cc(C)c([NH+]=[C-]NCc2cccc(N)c2)c(C)c1.[Cl-]
6 meas.
3D
#8372
Au(1)
donors: {"N": 4, "Br": 2}
CCn1[c-][n+](CC)c(-c2ccc(Br)cc2)c1.CCn1[c-][n+](CC)c(-c2ccc(Br)cc2)c1
4 meas.
3D
#8371
Au(3)
donors: {"O": 3, "P": 1, "N": 5}
COP(=O)(Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)cc1)OC
2 meas.
3D
#8370
Au(1)
donors: {"N": 6}
CCCCCCCCC[n+]1[c-]n(-c2ccccn2)cc1.CCCCCCCCC[n+]1[c-]n(-c2ccccn2)cc1
1 meas.
3D
#8369
Au(1)
donors: {"Cl": 1, "P": 1, "N": 2}
[Cl-].c1ccc(P(c2ccccc2)c2ccccc2CNCc2ccccn2)cc1
13 meas.
3D
#8368
Au(1)
donors: {"N": 2, "S": 1, "Cl": 1}
CC(C)c1cccc(C(C)C)c1-[n+]1[c-]sc(-c2ccccc2)n1.[Cl-]
1 meas.
3D
#8367
Au(3)
donors: {"O": 2, "N": 4}
O=C(Oc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)cc1)C12C[C@H]3C[C@@H](C1)C...
8 meas.
3D
#8366
Au(1)
donors: {"O": 2, "N": 2, "S": 1}
CCO[C@H]1[C@H](OCC)[N+](c2c(C)cc(C)cc2C)=[C-]N1c1c(C)cc(C)cc1C.[S-]c1ccccc1
4 meas.
3D
#8365
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.[Se]=C1NCCCN1
3 meas.
3D
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21/189 (9414 total)