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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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#9264
Au(1)
donors: {"O": 2, "F": 5, "N": 2, "P": 1}
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(C[n+]2[c-]n(Cc3c4ccccc4cc4ccccc34)c3ccccc32)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
3D
#9263
Au(1)
donors: {"N": 4, "P": 1}
CN(C)c1cccc(N(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
2 meas.
3D
#9262
Au(1)
donors: {"O": 9, "S": 1, "N": 3, "Cl": 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.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
6 meas.
3D
#9261
Ir(3)
donors: {"N": 5, "S": 3}
[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1.c1ccc2[nH]c(-c3cscn3)nc2c1
2 meas.
3D
#9260
Ir(3)
donors: {"N": 5}
Cc1ccnc(-c2cc(-c3nc4ccccc4[se]3)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
12 meas.
3D
#9259
Au(3)
donors: {"P": 2, "N": 1, "Cl": 1}
C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C.Cc1c[c-]c(-c2ccccn2)cc1.[Cl-]
4 meas.
3D
#9258
Au(1)
donors: {"O": 2, "N": 2, "F": 1, "Cl": 1}
COc1ccc(-c2c3ccc(N[C-]=[N+]4CCCCC4)ccc-3c(-c3ccc(OC)cc3)c2-c2ccc(F)cc2)cc1.[Cl-]
4 meas.
3D
#9257
Au(1)
donors: {"N": 2, "O": 2, "Br": 1}
CCn1[c-][n+](CC)c(-c2ccccc2OC)c1-c1ccccc1OC.[Br-]
3 meas.
3D
#9256
Ir(3)
donors: {"O": 3, "N": 5}
COc1cc(/C=C/C(=O)NCc2ccnc(-c3cc(C)ccn3)c2)ccc1O.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
3D
#9255
Au(1)
donors: {"O": 6, "P": 1, "Br": 1}
COc1cccc(OC)c1P(c1c(OC)cccc1OC)c1c(OC)cccc1OC.[Br-]
6 meas.
3D
#9254
Au(1)
donors: {"N": 2, "Cl": 1}
CCCCCCCCCCCCCCCCCC[n+]1[c-]n(CCCC)cc1.[Cl-]
2 meas.
3D
#9253
Au(1)
donors: {"P": 2, "Br": 1}
C[P+](Cc1ccccc1P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
3 meas.
3D
#9252
Au(1)
donors: {"N": 4, "S": 1, "O": 1, "P": 1}
Cc1nc2nc([S-])[nH]c(=O)c2nc1C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#9251
Au(1)
donors: {"P": 1, "Cl": 1}
C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.[Cl-]
2 meas.
3D
#9250
Au(3)
donors: {"O": 2, "N": 1}
OCCC1(CCO)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.[C-]#Cc1ccccc1.[C-]#Cc1ccccc1
4 meas.
3D
#9249
Au(3)
donors: {"Cl": 2, "O": 1, "N": 2}
[Cl-].[Cl-].c1ccc(C[C@H]2COC(c3ccccn3)=N2)cc1
2 meas.
3D
#9248
Au(3)
donors: {"S": 5, "N": 4}
S=C([S-])N(Cc1ccccc1)Cc1ccccc1.S=C([S-])N(Cc1ccccc1)Cc1ccccc1.[S-]c1ncccn1
1 meas.
3D
#9247
Au(1)
donors: {"N": 4}
CC(C)n1[c-][n+](C(c2ccccc2)c2ccccc2)c2ccccc21.[c-]1c2c(n3[n+]1CCCC3)CCCC2
1 meas.
3D
#9246
Au(1)
donors: {"S": 1, "N": 4, "O": 3, "P": 1}
[S-]c1nnnn1-c1ccccc1.c1coc(P(c2ccco2)c2ccco2)c1
2 meas.
3D
#9245
Au(3)
donors: {"O": 9, "S": 1, "N": 1}
CC(=O)OCC1OC([S-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
3 meas.
3D
#9244
Au(3)
donors: {"N": 4, "P": 1, "Cl": 1}
C1N2CN3CN1CP(C2)C3.[Cl-].[c-]1ccccc1Cc1ccccn1
6 meas.
3D
#9243
Au(3)
donors: {"O": 2, "N": 2}
CC(=O)[N-]c1ccccc1[O-].[c-]1ccccc1Cc1ccccn1
4 meas.
3D
#9242
Au(1)
donors: {"Cl": 1, "N": 3, "P": 1}
[Cl-].c1ccc(C[N+]23CN4CN(CP(C4)C2)C3)cc1
6 meas.
3D
#9241
Au(1)
donors: {"P": 1, "N": 2, "S": 1}
CCP(CC)CC.NC(N)=S
15 meas.
3D
#9240
Au(1)
donors: {"O": 2, "P": 2, "N": 3}
O=C(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
3 meas.
3D
#9239
Au(1)
donors: {"N": 4, "O": 1, "Cl": 1}
CC(C)(C)c1noc(-c2ccc(-n3[c-][n+](Cc4c5ccccc5cc5ccccc45)cc3)cc2)n1.[Cl-]
12 meas.
3D
#9238
Au(1)
donors: {"N": 2, "I": 2, "O": 3}
CCn1[c-][n+](CC)c(-c2cc(I)c(OC)c(OC)c2)c1-c1ccc(OC)cc1.[I-]
2 meas.
3D
#9237
Au(3)
donors: {"O": 2, "N": 2}
[O-]c1ccccc1C=NC1CCCCC1N=Cc1ccccc1[O-]
4 meas.
3D
#9236
Au(1)
donors: {"N": 1, "F": 3, "S": 1, "O": 2, "P": 1}
CC(C)(C)c1cc(C(C)(C)C)c(/C=[NH+]/c2cc(C(F)(F)F)ccc2[S-])c([O-])c1O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#9235
Au(3)
donors: {"O": 2, "N": 1, "S": 2, "Br": 2}
CCOC(=O)C1CCN(C(=S)[S-])CC1.[Br-].[Br-]
4 meas.
3D
#9234
Ir(3)
donors: {"O": 1, "N": 5}
CCCC(=O)NCc1ccnc(-c2cc(C)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
3D
#9233
Ir(3)
donors: {"S": 2, "N": 6}
[S-]c1nc2ccccc2c2n1nc([S-])[n+]2-c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
3D
#9232
Au(1)
donors: {"Cl": 3, "N": 2}
Clc1ccccc1-n1[c-][n+](-c2ccccc2Cl)c2c1-c1cccc3cccc-2c13.[Cl-]
1 meas.
3D
#9231
Au(1)
donors: {"N": 4, "O": 4, "S": 1, "F": 3}
CCn1[c-][n+](CC)cc1.CCn1[c-][n+](CCCOC(=O)/C=C/c2ccc(Oc3c(C(=O)c4ccccc4)sc4cc(F)ccc34)cc2)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1
2 meas.
3D
#9230
Au(3)
donors: {"N": 4, "O": 1, "Cl": 3}
C/C(N)=N\NC(=O)c1ccncc1.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#9229
Au(1)
donors: {"O": 1, "N": 6, "F": 1, "Cl": 1, "S": 1, "P": 1}
CCOCc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NCCN(C)C(=S)NC.CCP(CC)CC
2 meas.
3D
#9228
Au(1)
donors: {"N": 5, "P": 1, "S": 1}
C1N2CN3CN1CP(C2)C3.Cc1cc(C)nc([S-])n1
2 meas.
3D
#9227
Au(1)
donors: {"N": 2, "Br": 1, "O": 1, "I": 1}
CCn1[c-][n+](CC)c(-c2ccc(Br)cc2)c1-c1ccc(OC)cc1.[I-]
2 meas.
3D
#9226
Au(1)
donors: {"O": 9, "N": 5, "Cl": 1}
C=C(OC)OCC1OC(n2cc(-c3cn(C)[c-][n+]3C)nn2)C(OC(=C)OC)C(OC(=C)OC)C1OC(=C)OC.[Cl-]
4 meas.
3D
#9225
Au(3)
donors: {"N": 2, "Cl": 3}
Cn1[c-][n+](C)cc1.[Cl-].[Cl-].[Cl-]
9 meas.
3D
#9224
Ir(3)
donors: {"N": 6, "S": 1}
Cn1c(-c2cccs2)nc2c3cccnc3c3ncccc3c21.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
3D
#9223
Au(1)
donors: {"O": 3, "P": 2, "Br": 1}
COc1ccc2cc(-c3ccc([P+](Cc4ccccc4P(c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c(=O)oc2c1.[Br-]
6 meas.
3D
#9222
Au(1)
donors: {"N": 4, "O": 12}
CC[n+]1[c-]n(CCCOC(=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
#9221
Au(3)
donors: {"O": 1, "N": 3, "S": 1, "Cl": 1}
Cc1ccc([O-])c(/C=N/N=C(/N)[S-])c1.[Cl-]
6 meas.
3D
#9220
Au(1)
donors: {"N": 1, "P": 1, "Cl": 1}
CCCCN=Cc1ccccc1P(c1ccccc1)c1ccccc1.[Cl-]
13 meas.
3D
#9219
Ir(3)
donors: {"N": 6, "O": 2}
CCCC[n+]1[c-]n(Cn2[c-][n+](CCCC)cc2)cc1.O=C1c2ccc[c-]c2-c2nccc3cccc1c23.O=C1c2ccc[c-]c2-c2nccc3cccc1c23
4 meas.
3D
#9218
Au(1)
donors: {"N": 6, "P": 1, "O": 1}
C1[N@]2C[N@@]3CP1C[N@](C2)C3.[C-]#CCNC(=O)c1nc(-c2ccccc2)c2ccccc2n1
4 meas.
3D
#9217
Au(1)
donors: {"P": 1, "S": 1, "N": 2, "O": 1}
CCP(CC)CC.[S-]c1nnc(C23CC4CC(CC(C4)C2)C3)o1
4 meas.
3D
#9216
Au(1)
donors: {"N": 3, "S": 2, "O": 3}
CCN(CC)C(=S)[S-].COc1cc(O)c(C(C)=O)cc1C[n+]1[c-]n(C)cc1
2 meas.
3D
#9215
Au(3)
donors: {"N": 7}
Cn1[c-][n+](C)cc1.c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1
1 meas.
3D
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