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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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#8264
Au(3)
donors: {"O": 3, "P": 1, "N": 5}
CCOP(=O)(Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)cc1)OCC
2 meas.
3D
#8263
Au(1)
donors: {"O": 9, "S": 1, "N": 2}
C=C(OC)OC[C@H]1O[C@@H]([S-])[C@H](OC(=C)OC)[C@@H](OC(=C)OC)[C@@H]1OC(=C)OC.Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(...
3 meas.
3D
#8262
Au(1)
donors: {"N": 1, "O": 2, "P": 2}
[C-]#CCN1C(=O)c2ccccc2C1=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8261
Au(1)
donors: {"O": 1, "N": 4, "P": 1}
CCOc1ncnc2[n-]cnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8260
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.CCN1CCNC1=S
3 meas.
3D
#8259
Au(3)
donors: {"N": 6}
N=C(N)/N=C(\[NH-])N.[c-]1ccccc1-c1ccccn1
7 meas.
3D
#8258
Au(1)
donors: {"P": 1, "N": 12, "O": 4}
CCP(CC)CC.N=C(N)NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(-c2[c-][nH]nn2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
2 meas.
3D
#8257
Au(1)
donors: {"O": 5, "N": 2, "S": 1, "P": 1}
CC1(C)CC(C(O)c2nnc([S-])o2)C(C2COC(C)(C)O2)O1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8256
Au(3)
donors: {"N": 3, "O": 7, "Cl": 2}
CN(C)CCNCCNC(=O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[Cl-].[Cl-]
4 meas.
3D
#8255
Au(1)
donors: {"O": 2, "F": 3, "N": 3, "S": 1, "P": 1}
Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8254
Au(1)
donors: {"F": 6, "N": 2, "P": 1}
FC(F)(F)c1cc(C(F)(F)F)[n-]n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
7 meas.
3D
#8253
Au(1)
donors: {"O": 3, "P": 1, "Cl": 1}
COc1ccc2cc(-c3ccc(P(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1.[Cl-]
4 meas.
3D
#8252
Au(3)
donors: {"O": 6, "N": 2, "Cl": 3}
CC1(C)O[C@@H]([C@H]2COC(C)(C)O2)[C@@H]([C@@H](O)C(=O)NCCN)O1.[Cl-].[Cl-].[Cl-]
4 meas.
3D
#8251
Au(3)
donors: {"Br": 1, "N": 1, "Cl": 1}
Brc1ccc(-c2cc(-c3[c-]cccc3)nc(-c3[c-]cccc3)c2)cc1.[Cl-]
2 meas.
3D
#8250
Au(1)
donors: {"N": 4, "O": 12}
CC[n+]1[c-]n(CCCCOC(=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]3C2...
5 meas.
3D
#8249
Au(1)
donors: {"N": 2, "O": 1, "P": 1}
CCn1[c-][n+](CC)c2cc(OC)ccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8248
Au(3)
donors: {"N": 2, "Cl": 3}
Cc1cc(-c2ccccc2)nc2c1ccc1ccc(-c3ccccc3)nc12.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#8247
Au(1)
donors: {"S": 1, "O": 2, "N": 3, "Cl": 1}
Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2/[NH+]=[C-]\NC2CCCCC2)cc1.[Cl-]
4 meas.
3D
#8246
Au(1)
donors: {"O": 9, "S": 1, "N": 3}
CC(=O)OC[C@H]1O[C@@H]([S-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.[C-](\NC1CCCCC1)=[N+](\Cc1ccccn1)C1CCCCC1
4 meas.
3D
#8245
Au(1)
donors: {"P": 1, "N": 3}
CP(C)C.c1nnc[n-]1
1 meas.
3D
#8244
Au(1)
donors: {"O": 2, "N": 4}
COC(C[n+]1[c-]n(C)cc1)c1ccccc1.COC(C[n+]1[c-]n(C)cc1)c1ccccc1
10 meas.
3D
#8243
Au(1)
donors: {"N": 2, "F": 1, "O": 1, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(OC)cc1.[Cl-]
2 meas.
3D
#8242
Au(3)
donors: {"O": 24, "N": 4}
C[C@]1(Oc2ccc(-c3c4nc(c(-c5ccc(O[C@@]6(C)O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)cc5)c5ccc([n-]5)c(-c5ccc(O[C@@]6(C)O[C@@H...
5 meas.
3D
#8241
Au(1)
donors: {"O": 9, "S": 2, "F": 6, "N": 2, "P": 1}
CC(=O)OC[C@H]1O[C@@H]([S-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.FC(F)(F)c1cc(NC(=S)NCCP(c2ccccc2)c2ccccc2)cc(C(F)...
3 meas.
3D
#8240
Au(1)
donors: {"N": 6}
[c-]1n(-c2ccc(-n3cccc3)cc2)cc[n+]1Cc1ccccc1.[c-]1n(-c2ccc(-n3cccc3)cc2)cc[n+]1Cc1ccccc1
3 meas.
3D
#8239
Ir(3)
donors: {"O": 2, "N": 4, "S": 2}
COc1c[c-]c(-c2nc3ccccc3s2)cc1.COc1c[c-]c(-c2nc3ccccc3s2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
3D
#8238
Au(1)
donors: {"N": 6}
Cc1cc(C)c(-n2[c-][n+](-c3ccc4ccccc4n3)cc2)c(C)c1.Cc1cc(C)c(-n2[c-][n+](-c3ccc4ccccc4n3)cc2)c(C)c1
5 meas.
3D
#8237
Au(3)
donors: {"N": 2, "S": 8}
CCCCCCCCn1c([S-])c([S-])sc1=S.CCCCCCCCn1c([S-])c([S-])sc1=S
1 meas.
3D
#8236
Au(1)
donors: {"N": 8, "P": 4}
c1cncc(P(CCP(c2cccnc2)c2cccnc2)c2cccnc2)c1.c1cncc(P(CCP(c2cccnc2)c2cccnc2)c2cccnc2)c1
6 meas.
3D
#8235
Au(1)
donors: {"P": 2, "Br": 1}
CCCC[P+](CCCC)(CCCC)Cc1ccccc1P(c1ccccc1)c1ccccc1.[Br-]
3 meas.
3D
#8234
Au(1)
donors: {"N": 6}
Cc1cc(C)c(-c2[c-][n+](-c3c(C)cc(C)cc3C)nn2C)c(C)c1.Cc1cc(C)c(-c2[c-][n+](-c3c(C)cc(C)cc3C)nn2C)c(C)c1
4 meas.
3D
#8233
Ir(3)
donors: {"O": 1, "N": 7, "Br": 1}
O=C1Nc2ccc(Br)cc2/C1=N\N=C\c1ncc[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
3D
#8232
Au(1)
donors: {"N": 3, "O": 2, "S": 1, "P": 1}
CC(C)NC(=O)CNC(=O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#8231
Au(1)
donors: {"O": 2, "N": 2}
CC(=O)[O-].CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)c2c1-c1cccc3cccc-2c13
3 meas.
3D
#8230
Au(1)
donors: {"N": 3, "I": 1}
Cc1ccc(-n2[c-][n+](C(C)(C)C)nc2-c2ccccc2)cc1.[I-]
4 meas.
3D
#8229
Au(1)
donors: {"N": 6, "P": 1, "Cl": 1}
Cn1ccnc1P(c1nccn1C)c1nccn1C.[Cl-]
6 meas.
3D
#8228
Au(1)
donors: {"N": 2, "I": 1}
CCn1[c-][n+](CC)c(-c2ccccc2)c1-c1ccccc1.[I-]
6 meas.
3D
#8227
Au(1)
donors: {"N": 4, "P": 1, "S": 2}
C1N2CN3CN1CP(C2)C3.[S-]c1nc2ccccc2s1
2 meas.
3D
#8226
Au(3)
donors: {"F": 10, "N": 3}
Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.c1ccc(CNCc2ccccn2)nc1
3 meas.
3D
#8225
Au(1)
donors: {"N": 8, "S": 2}
NC(=S)N/N=C/c1ccccn1.NC(=S)N/N=C/c1ccccn1
3 meas.
3D
#8224
Au(3)
donors: {"O": 2, "N": 2, "F": 2}
[O-]c1ccccc1C=N[C@H](c1ccc(F)cc1)[C@H](N=Cc1ccccc1[O-])c1ccc(F)cc1
3 meas.
3D
#8223
Au(3)
donors: {"N": 4, "Br": 2}
CCn1[c-][n+](CC)c(-c2ccccc2)c1-c1ccccc1.CCn1[c-][n+](CC)c(-c2ccccc2)c1-c1ccccc1.[Br-].[Br-]
6 meas.
3D
#8222
Au(1)
donors: {"O": 3, "N": 3, "P": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[C-]#CCO
2 meas.
3D
#8221
Au(1)
donors: {"N": 3, "Cl": 1}
Cc1ccc(-n2[c-][n+](C(C)(C)C)nc2-c2ccccc2)cc1.[Cl-]
4 meas.
3D
#8220
Au(1)
donors: {"Cl": 1, "N": 3}
[Cl-].[c-]1n(C2CCCCC2)cn[n+]1Cc1ccccc1
2 meas.
3D
#8219
Au(1)
donors: {"N": 2, "O": 1, "S": 2, "P": 1}
NC(=O)C1CCN(C(=S)[S-])CC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8218
Au(3)
donors: {"N": 4, "O": 3, "Cl": 1}
CC(N)C(=O)[N-]C(Cc1c[nH]cn1)C(=O)O.[Cl-]
6 meas.
3D
#8217
Au(1)
donors: {"P": 1, "S": 1, "N": 2}
C=CCP(c1ccccc1)c1ccccc1.[S-]c1ncccn1
4 meas.
3D
#8216
Au(1)
donors: {"N": 2, "O": 2, "Cl": 1}
Cn1[c-][n+](C)c(C(=O)O)c1.[Cl-]
4 meas.
3D
#8215
Au(1)
donors: {"N": 4, "F": 2, "O": 2}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
1 meas.
3D
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24/189 (9414 total)