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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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#7164
Au(1)
donors: {"P": 4}
c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
12 meas.
3D
#7163
Au(1)
donors: {"N": 3, "O": 3}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[N-]=C=O
3 meas.
3D
#7162
Au(3)
donors: {"N": 2}
CC(C)(C)c1c[c-]c(-c2[c-]cc(C(C)(C)C)cc2)cc1.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C
4 meas.
3D
#7161
Au(3)
donors: {"N": 3, "S": 2, "O": 2}
CN(C)C(=S)[S-].Oc1cccnc1-c1ncccc1O
9 meas.
3D
#7160
Au(1)
donors: {"O": 3, "S": 2, "P": 1, "N": 2}
O=S(=O)([O-])c1cccc(P(c2ccccc2)c2ccccc2)c1.[S-]c1ncccn1
2 meas.
3D
#7159
Au(1)
donors: {"N": 2, "F": 1, "O": 1, "I": 1}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(OC)cc1.[I-]
2 meas.
3D
#7158
Au(3)
donors: {"O": 3, "Cl": 2}
CC1=C2CC/C(C)=C/CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]2OC1=O.[Cl-].[Cl-]
2 meas.
3D
#7157
Au(1)
donors: {"O": 5, "N": 2, "S": 1, "P": 1}
CC(C)(C)OC(=O)CNC(=O)[C@@H]1C[C@H]([S-])CN1C(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7156
Au(1)
donors: {"N": 4}
CCCCCCCCCCCCCCCCCC[n+]1[c-]n(CCCCCCCCCC)cc1.CCCCCCCCCCCCCCCCCC[n+]1[c-]n(CCCCCCCCCC)cc1
2 meas.
3D
#7155
Au(1)
donors: {"N": 1, "S": 2, "P": 1}
CCCCCCCCCCCCCCCCN1CCSC1=S.CCP(CC)CC
3 meas.
3D
#7154
Au(1)
donors: {"N": 5, "Br": 1, "Cl": 1}
Cn1[c-][n+](Cc2cn(Cc3ccccc3Br)nn2)cc1.[Cl-]
1 meas.
3D
#7153
Ir(3)
donors: {"N": 10, "O": 2, "Cl": 2}
Cc1nc2ccccc2nc1-c1[c-]cccc1.Cc1nc2ccccc2nc1-c1[c-]cccc1.O=C(CCCn1c(-c2ccccn2)nc2ccccc21)NC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccc...
1 meas.
3D
#7152
Au(3)
donors: {"N": 2, "S": 2}
CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.CN(C)C(=S)[S-]
6 meas.
3D
#7151
Au(1)
donors: {"O": 3, "P": 1}
[C-]#CCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2.c1ccc(P(...
4 meas.
3D
#7150
Au(1)
donors: {"N": 4, "F": 1}
Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1.Fc1cnc2[n-]ccc2c1
6 meas.
3D
#7149
Au(1)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1-[n+]1[c-]n(C)cc1.[Se-]c1ccccc1
4 meas.
3D
#7148
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.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cc...
3 meas.
3D
#7147
Au(1)
donors: {"N": 1, "S": 2, "P": 1}
CCN(CC)C(=S)[S-].CP(C)C
2 meas.
3D
#7146
Au(1)
donors: {"N": 2, "O": 3, "Cl": 1}
CC(C)n1[c-][n+](C(C)C)cc1.[C-]#CCOc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O
1 meas.
3D
#7145
Au(1)
donors: {"N": 4, "I": 1}
CCn1[c-][n+](CC)c2ccccc21.CCn1[c-][n+](CC)c2ccccc21.[I-]
9 meas.
3D
#7144
Au(3)
donors: {"N": 2, "S": 8}
Cn1c([S-])c([S-])sc1=S.Cn1c([S-])c([S-])sc1=S
3 meas.
3D
#7143
Ir(3)
donors: {"N": 8, "O": 2, "S": 2}
[c-]1cc(CN2CCOCC2)ccc1-c1ccccn1.[c-]1cc(CN2CCOCC2)ccc1-c1ccccn1.c1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1
5 meas.
3D
#7142
Au(3)
donors: {"N": 3, "O": 3}
CC(C)(c1[c-]cccc1)c1cccc(-c2ccccn2)n1.[C-]#Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
5 meas.
3D
#7141
Au(1)
donors: {"O": 2, "N": 2, "F": 1, "Cl": 1}
COc1ccc(-c2c3ccc(N[C-]=[N+]4CCCC4)ccc-3c(-c3ccc(OC)cc3)c2-c2ccc(F)cc2)cc1.[Cl-]
4 meas.
3D
#7140
Au(1)
donors: {"N": 2, "Cl": 1}
CCCCc1cc(C(c2ccccc2)c2ccccc2)c(-n2[c-][n+]3c(ccc4ccccc43)c2)c(C(c2ccccc2)c2ccccc2)c1.[Cl-]
2 meas.
3D
#7139
Au(3)
donors: {"N": 4, "O": 3, "Cl": 1}
C[C@H](N)C(=O)[N-][C@@H](Cc1cnc[nH]1)C(=O)O.[Cl-]
6 meas.
3D
#7138
Au(3)
donors: {"N": 1, "O": 2, "Cl": 2}
NCCc1[c-]cc2c(c1)OCO2.[Cl-].[Cl-]
8 meas.
3D
#7137
Au(1)
donors: {"P": 1, "N": 1, "S": 2}
CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.CN(C)C(=S)[S-]
3 meas.
3D
#7136
Au(1)
donors: {"N": 5, "S": 1, "P": 1}
CN(C)CCn1nnnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7135
Au(3)
donors: {"N": 2, "O": 2, "S": 2}
CC(C)(C)c1c[c-]c(-c2ccccn2)cc1.CCOC(=O)CN(C)C(=S)[S-]
6 meas.
3D
#7134
Au(3)
donors: {"N": 2, "Cl": 3}
CCn1[c-][n+](CC)c2ccccc21.[Cl-].[Cl-].[Cl-]
3 meas.
3D
#7133
Au(3)
donors: {"N": 6}
CC1=C2C=CC=CN2[CH-]N1c1ccccn1.CC1=C2C=CC=CN2[CH-]N1c1ccccn1
4 meas.
3D
#7132
Au(3)
donors: {"O": 9, "N": 2, "Cl": 2}
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](OCC(=O)[N-]Cc2ccccn2)OC[C@H]1OC(C)=O.[Cl-].[Cl-]
3 meas.
3D
#7131
Au(1)
donors: {"N": 2, "F": 2, "O": 1}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#CCOCc1ccccc1
1 meas.
3D
#7130
Au(3)
donors: {"Cl": 3, "N": 3}
[Cl-].[Cl-].[Cl-].[c-]1n(C2CCCCC2)cn[n+]1Cc1ccccc1
2 meas.
3D
#7129
Au(1)
donors: {"P": 1, "O": 5, "N": 5}
CCP(CC)c1ccccc1.COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(-c2[c-][nH]nn2)cc1)NC(=O)OC(C)(C)C
2 meas.
3D
#7128
Au(3)
donors: {"O": 1, "N": 3, "S": 1, "Cl": 1}
Cc1ccc([O-])c(/C=N/N=C(\[S-])N2CCC(C)CC2)c1.[Cl-]
6 meas.
3D
#7127
Au(1)
donors: {"N": 8, "O": 4}
Cn1[c-][n+](C)c2c(=O)n(CCC3CCCCC3)c(=O)n(C)c21.Cn1[c-][n+](C)c2c(=O)n(CCC3CCCCC3)c(=O)n(C)c21
3 meas.
3D
#7126
Au(1)
donors: {"N": 2, "P": 1, "Cl": 1}
C(=N/c1cccnc1)\c1ccccc1P(c1ccccc1)c1ccccc1.[Cl-]
2 meas.
3D
#7125
Au(1)
donors: {"N": 2, "Cl": 1}
CC[n+]1[c-]n2ccccc2c1.[Cl-]
12 meas.
3D
#7124
Au(3)
donors: {"Cl": 3}
[Cl-].[Cl-].[Cl-]
4 meas.
3D
#7123
Au(1)
donors: {"O": 8, "P": 4}
O=C(O)C(=C(C(=O)O)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.O=C(O)C(=C(C(=O)O)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
8 meas.
3D
#7122
Ir(3)
donors: {"N": 2, "Cl": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(/N=C/c2[c-]cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.[Cl-]
3 meas.
3D
#7121
Au(3)
donors: {"O": 6, "N": 3, "S": 2}
O=C1[N-]S(=O)(=O)c2ccccc21.O=C1[N-]S(=O)(=O)c2ccccc21.[c-]1ccccc1Cc1cccnc1
1 meas.
3D
#7120
Au(3)
donors: {"O": 1, "N": 3, "Cl": 3}
CC(=O)N/N=C(\C)N.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#7119
Au(3)
donors: {"N": 3, "O": 1, "Cl": 3}
C/C(N)=N\NC(=O)c1ccc(C)cc1.[Cl-].[Cl-].[Cl-]
1 meas.
3D
#7118
Au(1)
[Se-][c]12->[Co+3]3456789(<-[CH-]%10[C]3=[C]4[C]5=[C]%106)<-[cH-]1[c]7[c]8[c]29.[Se-][c]12->[Co+3]3456789(<-[CH-]%10[C]3...
3 meas.
3D
#7117
Au(1)
donors: {"N": 1, "S": 2, "P": 1}
CCCCCCCCCCCCCCN1CCSC1=S.CCP(CC)CC
3 meas.
3D
#7116
Au(1)
donors: {"P": 1, "I": 1}
CCP(CC)CC.[I-]
2 meas.
3D
#7115
Au(1)
donors: {"N": 4, "O": 12}
CC[n+]1[c-]n(CCCOC(=O)/C=C/c2ccc(O)c(OC)c2)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.CC[n+]1[c-]n(CCCOC(=O)/C=C/c2ccc(O)c(OC)c2)c(...
2 meas.
3D
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46/189 (9414 total)