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D-MPNN
Coordination Complexes
7058 complexes in database
7058
Total
4834
Ru
1295
Ir
339
Rh
337
Os
253
Re
Metal
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Ox. State
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#1158
Ru(3)
donors: {"N": 6, "O": 2}
CCCNC(C)=N.CCCNC(C)=N.[O-]c1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1[O-]
4 meas.
MOL
3D
#1157
Ru(3)
donors: {"N": 4, "O": 1}
N=C(N)NCCO.N=C(N)NCCO.[O-]c1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1[O-]
4 meas.
MOL
3D
#1156
Ru(3)
donors: {"N": 4, "O": 1}
N=C(N)NC1CCCCC1.N=C(N)NC1CCCCC1.[O-]c1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1[O-]
7 meas.
MOL
3D
#1155
Ru(3)
donors: {"N": 4, "O": 1}
CC(C)NC(=N)N.CC(C)NC(=N)N.[O-]c1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1[O-]
4 meas.
MOL
3D
#1154
Ru(3)
donors: {"N": 4, "O": 1}
CCCCNC(=N)N.CCCCNC(=N)N.[O-]c1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1[O-]
7 meas.
MOL
3D
#1153
Ru(3)
donors: {"N": 4, "O": 1}
CCCNC(=N)N.CCCNC(=N)N.[O-]c1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1[O-]
4 meas.
MOL
3D
#1152
Ru(3)
donors: {"N": 4, "O": 1}
N=C(N)N.N=C(N)N.[O-]c1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1[O-]
4 meas.
MOL
3D
#1151
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1cccc(C)c1/N=C(\c1ccccc1)[n+]1[c-]n(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1150
Ru(2)
donors: {"N": 2}
CCCCn1[c-][n+](/C(C)=N/c2c(C(C)C)cccc2C(C)C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1149
Ru(2)
donors: {"N": 2}
C/C(=N\c1c(C(C)C)cccc1C(C)C)[n+]1[c-]n(C(C)C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1148
Ru(2)
donors: {"N": 2}
CCn1[c-][n+](/C(C)=N/c2c(C(C)C)cccc2C(C)C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1147
Ru(2)
donors: {"N": 2}
C/C(=N\c1c(C(C)C)cccc1C(C)C)[n+]1[c-]n(C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1146
Ru(2)
donors: {"N": 2}
CC(C)n1[c-][n+](/C(=N/c2ccccc2)c2ccccc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1145
Ru(2)
donors: {"N": 2}
CCCCn1[c-][n+](/C(C)=N/c2c(C)cccc2C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1144
Ru(2)
donors: {"N": 2}
C/C(=N\c1c(C)cccc1C)[n+]1[c-]n(C(C)C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1143
Ru(2)
donors: {"N": 2}
CCn1[c-][n+](/C(C)=N/c2c(C)cccc2C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1142
Ru(2)
donors: {"N": 2}
C/C(=N\c1c(C)cccc1C)[n+]1[c-]n(C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1141
Ru(2)
donors: {"N": 2}
Cc1c(C)c(C)c(C)c(C)c1C.Clc1cccc(/N=C/c2ccc3ccccc3n2)c1.[Cl-]
7 meas.
MOL
3D
#1140
Ru(2)
donors: {"N": 2}
CC(C)c1cc(C(C)C)cc(C(C)C)c1.Clc1cccc(/N=C/c2ccc3ccccc3n2)c1.[Cl-]
4 meas.
MOL
3D
#1139
Ru(2)
donors: {"N": 2}
CC(C)c1cc(C(C)C)cc(C(C)C)c1.FC(F)(F)c1cccc(/N=C/c2ccc3ccccc3n2)c1.[Cl-]
4 meas.
MOL
3D
#1138
Ru(2)
donors: {"N": 2}
C(=N/c1cccc2ccccc12)\c1ccc2ccccc2n1.CC(C)c1cc(C(C)C)cc(C(C)C)c1.[Cl-]
4 meas.
MOL
3D
#1137
Ru(2)
donors: {"N": 2}
COc1ccc(/N=C/c2ccc3ccccc3n2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1136
Ru(2)
donors: {"N": 2}
COc1ccc(/N=C/c2ccc3ccccc3n2)cc1.Cc1ccccc1.[Cl-]
4 meas.
MOL
3D
#1135
Ru(2)
donors: {"N": 2}
COc1ccc(/N=C/c2ccc3ccccc3n2)cc1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#1134
Ru(2)
donors: {"S": 3, "O": 4}
CS(C)=O.CS(C)=O.CS(C)=O.O=c1c([O-])c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.[Cl-]
2 meas.
MOL
3D
#1133
Ru(2)
donors: {"N": 4}
COc1ccc2nc(-n3cccn3)c(C3=C4C=CC=[N+]4[B-](F)(F)n4cccc43)cc2c1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1132
Ru(2)
donors: {"N": 4}
COc1ccc2nc(-n3cccn3)c(C3=C4C=CC=[N+]4[B-](F)(F)n4cccc43)cc2c1.[Cl-].c1ccccc1
1 meas.
MOL
3D
#1131
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.F[B-]1(F)n2cccc2C(c2cc3ccccc3nc2-n2cccn2)=C2C=CC=[N+]21.[Cl-]
1 meas.
MOL
3D
#1130
Ru(2)
donors: {"N": 4}
F[B-]1(F)n2cccc2C(c2cc3ccccc3nc2-n2cccn2)=C2C=CC=[N+]21.[Cl-].c1ccccc1
1 meas.
MOL
3D
#1129
Ru(2)
donors: {"N": 1, "O": 1}
C[Si](C)(C)CCCc1ccc(/N=C/c2ccccc2[O-])cc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1128
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1ccccc1/C=N/c1ccc(C(F)(F)F)cc1
2 meas.
MOL
3D
#1127
Ru(2)
donors: {"N": 4}
COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(O)c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1126
Ru(2)
donors: {"N": 5}
C(#Cc1ccccn1)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1125
Ru(2)
donors: {"N": 4}
COc1ccc(C#Cc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1124
Ru(2)
donors: {"N": 4}
Cc1ccc(C#Cc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1123
Ru(2)
donors: {"N": 4}
C(#Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1122
Ru(2)
donors: {"N": 4}
Cc1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1121
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
3 meas.
MOL
3D
#1120
Ru(2)
donors: {"N": 2}
Brc1ccc2oc(-c3ccc4ccccc4n3)nc2c1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#1119
Ru(2)
donors: {"N": 2}
Brc1ccc2oc(-c3ccc4ccccc4n3)nc2c1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#1118
Ru(2)
donors: {"N": 2}
Brc1ccc2oc(-c3ccccn3)nc2c1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#1117
Ru(2)
donors: {"N": 2}
Brc1ccc2oc(-c3ccccn3)nc2c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1116
Ru(2)
donors: {"O": 1, "N": 2, "P": 1}
COc1ccc(/C([O-])=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1.C[N+]12CN3CN(CP(C3)C1)C2.Cc1c(C)c(C)c(C)c(C)c1C
3 meas.
MOL
3D
#1115
Ru(2)
donors: {"O": 1, "N": 2, "P": 1}
COc1ccc(/C([O-])=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1.C[N+]12CN3CN(CP(C3)C1)C2.Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#1114
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.COc1ccc(/C([O-])=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1.Cc1c(C)c(C)c(C)c(C)c1C
3 meas.
MOL
3D
#1113
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.COc1ccc(/C([O-])=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#1112
Ru(2)
donors: {"O": 1}
COc1ccc(/C([O-])=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
3 meas.
MOL
3D
#1111
Ru(2)
donors: {"O": 1}
COc1ccc(/C([O-])=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1110
Ru(3)
donors: {"O": 1, "N": 4}
[Cl-].[Cl-].[O-]c1ccccc1/C=N/CCc1c[nH]c2ccccc12.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#1109
Ru(3)
donors: {"O": 1, "N": 4}
[Cl-].[Cl-].[O-]c1ccccc1/C=N/CCc1c[nH]c2ccccc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
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