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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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#7214
Au(1)
donors: {"N": 4, "O": 2}
Cn1c(=O)c2c(n(C)[c-][n+]2C)n(C)c1=O.[C-]#Cc1ccccc1
3 meas.
3D
#7213
Au(1)
donors: {"N": 2, "O": 2, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccc(-c3ccc(OC)cc3)cc2)c1-c1ccc(-c2ccc(OC)cc2)cc1.[Cl-]
3 meas.
3D
#7212
Au(1)
donors: {"O": 2, "N": 2, "F": 3}
CCO[C@H]1[C@H](OCC)[N+](c2c(C(C)C)cccc2C(C)C)=[C-]N1c1c(C(C)C)cccc1C(C)C.FC(F)(F)c1ccc([Se-])cc1
4 meas.
3D
#7211
Au(1)
donors: {"N": 2, "O": 5, "P": 1}
CCn1[c-][n+](CC)cc1.[C-]#CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCCC[P+](c6ccccc6...
3 meas.
3D
#7210
Au(1)
donors: {"N": 7, "S": 1, "P": 1}
Nc1ccnc([S-])n1.c1ccc(P(Nc2nc[nH]n2)c2ccccc2)cc1
2 meas.
3D
#7209
Au(3)
donors: {"P": 2, "Cl": 1, "N": 1}
C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C.[Cl-].[c-]1ccccc1-c1ccccn1
4 meas.
3D
#7208
Au(1)
donors: {"O": 3, "N": 3, "S": 1}
CC(=O)N[C@@H](C[S-])C(=O)O.[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1
3 meas.
3D
#7207
Au(3)
donors: {"F": 1, "N": 1, "Cl": 1}
Fc1ccc(-c2cc(-c3[c-]cccc3)nc(-c3[c-]cccc3)c2)cc1.[Cl-]
2 meas.
3D
#7206
Au(1)
donors: {"N": 4}
CCCn1[c-][n+](CCC)c2ccccc21.[c-]1c2c(n3[n+]1CCCC3)CCCC2
1 meas.
3D
#7205
Au(3)
donors: {"N": 4, "Cl": 2}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.[Cl-...
3 meas.
3D
#7204
Au(1)
donors: {"N": 6, "S": 2}
Cc1cc(C)c(-n2[c-][n+](C)cc2)c(C)c1.Cn1ccn([BH2-]n2ccn(C)c2=S)c1=S
2 meas.
3D
#7203
Au(3)
donors: {"N": 2, "O": 4, "S": 2, "Cl": 2}
CN(CC(=O)NC(COC(C)(C)C)C(=O)OC(C)(C)C)C(=S)[S-].[Cl-].[Cl-]
4 meas.
3D
#7202
Au(1)
donors: {"P": 1, "N": 2, "S": 1}
C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.CN(C)/C([S-])=N/c1ccccc1
1 meas.
3D
#7201
Ir(3)
donors: {"N": 6, "F": 1}
CCCCCCCCn1nc(-c2ccc(F)cc2)nc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
3D
#7200
Au(1)
donors: {"N": 1, "S": 2, "P": 1}
CCCCCCCCCCCCN1CCSC1=S.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7199
Au(1)
donors: {"O": 2, "S": 1, "P": 1}
O=C(O)c1ccc([S-])cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#7198
Au(3)
donors: {"N": 5}
C#CCn1[c-][n+](CCC2(C)N=N2)cc1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
4 meas.
3D
#7197
Au(3)
donors: {"O": 1, "N": 3}
O=C(c1[c-]cccc1)c1ccccn1.c1ccc(C[N-]C2C3CCC(C3)C2NCc2ccccc2)cc1
4 meas.
3D
#7196
Au(1)
donors: {"O": 4, "S": 1, "N": 2, "P": 1}
COC(=O)[C@@H]1C[C@H]([S-])CN1C(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccn2)cc1
3 meas.
3D
#7195
Au(3)
donors: {"O": 1, "N": 3, "S": 2}
COc1ccc(N2CCN(C(=S)[S-])CC2)cc1.[c-]1ccccc1Cc1ccccn1
5 meas.
3D
#7194
Au(1)
donors: {"N": 3, "S": 1}
[c-]1n(C23CC4CC(CC(C4)C2)C3)cc[n+]1C12CC3CC(CC(C3)C1)C2.c1ccc2c(c1)[N-]c1ccccc1S2
4 meas.
3D
#7193
Au(1)
donors: {"N": 6, "P": 1, "O": 3}
C1N2CN3CN1CP(C2)C3.CCN(CC)/C([Se-])=N/C(=O)c1ccc([N+](=O)[O-])cc1
1 meas.
3D
#7192
Au(1)
donors: {"N": 4, "S": 1}
[C-](\NC1CCCCC1)=[N+](\Cc1ccccn1)C1CCCCC1.[S-]c1ccccn1
4 meas.
3D
#7191
Au(1)
donors: {"F": 1, "P": 2}
[C-]#Cc1ccc(F)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7190
Au(1)
donors: {"O": 1, "N": 4, "S": 1, "P": 1}
O=c1[nH]c([S-])nc2nccnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7189
Au(1)
donors: {"N": 4, "O": 4}
Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1.Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)c3c2C(=O)c2cc...
5 meas.
3D
#7188
Au(1)
donors: {"O": 2, "N": 2, "F": 1, "Cl": 1}
COc1ccc(-c2c3ccc(N/[C-]=[N+](/c4ccccc4)C(C)C)ccc-3c(-c3ccc(OC)cc3)c2-c2ccc(F)cc2)cc1.[Cl-]
4 meas.
3D
#7187
Au(1)
donors: {"N": 3, "F": 2, "O": 1}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[N-]=C=O
3 meas.
3D
#7186
Au(1)
donors: {"N": 3, "O": 2, "S": 3}
C#CCn1[c-][n+](C)cc1.O=S(=O)(NC(=S)[S-])c1ccccc1
1 meas.
3D
#7185
Au(1)
donors: {"N": 2, "F": 2, "Br": 1}
CCn1[c-][n+](CC)c(-c2ccccc2F)c1-c1ccccc1F.[Br-]
3 meas.
3D
#7184
Au(1)
donors: {"N": 3, "O": 3, "F": 1, "Cl": 1}
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21.[Cl-]
5 meas.
3D
#7183
Au(3)
donors: {"N": 6, "S": 2, "F": 1}
CCN(CC)C(=S)N=C([N-]N=C([S-])N(C)C)c1ccc(F)cc1.C[NH+](C)Cc1[c-]cccc1
1 meas.
3D
#7182
Au(1)
donors: {"O": 4, "N": 3, "S": 1}
CC(C)(C)OC(=O)NC(C[S-])C(=O)O.Cn1[c-][n+](C(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#7181
Au(3)
donors: {"O": 4, "N": 3}
O=C1[N-]c2ccccc2C1=O.O=C1[N-]c2ccccc2C1=O.[c-]1ccccc1Cc1cccnc1
1 meas.
3D
#7180
Au(3)
donors: {"N": 6, "S": 2}
CCN(CC)C(=S)N=C([N-]N=C([S-])N1CCCCCC1)c1ccccc1.C[NH+](C)Cc1[c-]cccc1
1 meas.
3D
#7179
Au(1)
donors: {"O": 3, "N": 4, "S": 2}
COc1cc(O)c(C(C)=O)cc1C[n+]1[c-]n(C)cc1.S=C([S-])N1CCN(c2ccccc2)CC1
2 meas.
3D
#7178
Au(1)
donors: {"N": 4, "Br": 4}
C[n+]1[c-]n(-c2cc(Br)cc(Br)c2)cc1.C[n+]1[c-]n(-c2cc(Br)cc(Br)c2)cc1
1 meas.
3D
#7177
Au(3)
donors: {"N": 2, "S": 2}
CN(C)C(=S)[S-].Cc1c[c-]c(-c2ccccn2)cc1
1 meas.
3D
#7176
Au(1)
donors: {"N": 1, "S": 1, "O": 1, "P": 1}
CC(C)(C)c1cc(/C=N/c2ccc([S-])cc2)c(O)c(C(C)(C)C)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7175
Au(1)
donors: {"S": 2, "N": 1, "P": 1}
S=C1SCCN1CC12CC3CC(CC(C3)C1)C2.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7174
Au(3)
donors: {"Cl": 4, "N": 4}
Clc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([n-]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccc(Cl)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1
12 meas.
3D
#7173
Au(1)
donors: {"O": 12, "S": 1, "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.COc1ccc2cc(-c3ccc(P(c4ccccc4C)c4ccccc4C)cc3)c(=O)...
4 meas.
3D
#7172
Au(1)
donors: {"N": 5, "O": 4, "P": 1}
[C-]#Cc1ccc(N=c2c3cc(OCCCN4CCOCC4)c(OC)cc3ncn2CCCN2CCOCC2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7171
Au(1)
donors: {"N": 5, "P": 1, "S": 1}
C1N2CN3CN1CP(C2)C3.[C-]#CCSc1nc(C)cc(C)n1
2 meas.
3D
#7170
Au(3)
donors: {"N": 4}
CC(C)(C)c1c[c-]c(-c2cncc(-c3[c-]cc(C(C)(C)C)cc3)n2)cc1.Cn1[c-][n+](C)c2ccccc21
5 meas.
3D
#7169
Au(1)
donors: {"O": 4, "N": 2}
CC(=O)[O-].CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
6 meas.
3D
#7168
Au(3)
donors: {"N": 5, "S": 2, "Cl": 1}
CCN(CC)C(=S)NC([N-]/N=C(\[S-])N1CCCCCC1)c1ccccc1.[Cl-]
1 meas.
3D
#7167
Au(3)
donors: {"N": 2, "Cl": 3}
Cc1cccc(-c2cccc(C)n2)n1.[Cl-].[Cl-].[Cl-]
4 meas.
3D
#7166
Au(1)
donors: {"O": 1, "Cl": 2, "N": 2}
COc1ccc(-c2c(-c3ccc(Cl)cc3)[n+](C)[c-]n2C)cc1.[Cl-]
4 meas.
3D
#7165
Au(1)
donors: {"N": 2, "O": 2}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[C-]#Cc1ccccc1
2 meas.
3D
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45/189 (9414 total)