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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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Donor atoms
Has 3D struct
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#158
Ru(2)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#157
Ru(2)
donors: {"N": 5}
CC#N.CC#N.[c-]1ccccc1-c1ccccn1.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#156
Ru(2)
donors: {"N": 8}
Oc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#155
Ru(2)
donors: {"N": 5}
Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.N[C@H]1CCCC[C@@H]1N.[Cl-]
6 meas.
MOL
3D
#154
Ru(2)
donors: {"N": 5}
Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.NCCN.[Cl-]
12 meas.
MOL
3D
#153
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cccc2c1
3 meas.
MOL
3D
#152
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c[nH]c2c1
8 meas.
MOL
3D
#151
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=c1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)coc2ccccc12.[Cl-]
3 meas.
MOL
3D
#150
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c3ccccc3cc2c1
6 meas.
MOL
3D
#149
Ru(2)
donors: {"N": 2, "P": 2}
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#148
Ru(2)
donors: {"O": 1, "P": 4}
O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#147
Ru(2)
donors: {"O": 1, "P": 4}
CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#146
Ru(2)
donors: {"N": 8}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Fc1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
4 meas.
MOL
3D
#145
Ru(2)
donors: {"N": 8}
C(=C/c1ccco1)\c1nc2c3cccnc3c3ncccc3c2[nH]1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1
4 meas.
MOL
3D
#144
Ru(2)
donors: {"N": 6}
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc1)c1c(C)cc(C)n1[B-]2(F)F.O=C(CCCCC1SCC2NC(=O)NC21)NCCCOc1ccc...
3 meas.
MOL
3D
#143
Ru(2)
donors: {"N": 8}
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc1)c1c(C)cc(C)n1[B-]2(F)F.NCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3cc...
3 meas.
MOL
3D
#142
Ru(2)
donors: {"N": 8}
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc1)c1c(C)cc(C)n1[B-]2(F)F.O=C1c2ccccc2C(=O)N1CCCOc1ccc(-c2cc(...
3 meas.
MOL
3D
#141
Ru(2)
donors: {"N": 7}
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc1)c1c(C)cc(C)n1[B-]2(F)F.COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn...
3 meas.
MOL
3D
#140
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
48 meas.
MOL
3D
#139
Ru(2)
donors: {"N": 6}
O=c1[nH]c(=O)n([C@H]2C[C@H](O)C(CO)O2)cc1-c1cn(-c2ccc(/C=C/c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)nn1.c1ccc(-c2ccccn2)nc1.c1cc...
3 meas.
MOL
3D
#138
Ru(2)
donors: {"N": 6}
Cc1cccc(-c2cccc(C)n2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#137
Ru(2)
donors: {"N": 8}
Clc1cn[nH]c1.Clc1cn[nH]c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#136
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cn[nH]c1.c1cn[nH]c1
1 meas.
MOL
3D
#135
Ru(2)
donors: {"N": 2}
CCCCNCC(=O)Nc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#134
Ru(2)
donors: {"N": 2}
CCCCNCCNc1cccc2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-]
11 meas.
MOL
3D
#133
Ru(2)
donors: {"N": 2}
CCCCCCCCCCNCCNc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#132
Ru(2)
donors: {"N": 2}
CCCCCCCCNCCNc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#131
Ru(2)
donors: {"N": 2}
CCCCNCCNc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
11 meas.
MOL
3D
#130
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2ccc(Cl)cc2)oc2ccccc12.[Cl-]
11 meas.
MOL
3D
#129
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2ccc(F)cc2)oc2ccccc12.[Cl-]
15 meas.
MOL
3D
#128
Ru(2)
donors: {"O": 1}
COc1ccc(-c2oc3ccccc3c(=O)c2[O-])cc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#127
Ru(2)
donors: {"O": 1}
COc1cccc(-c2oc3ccccc3c(=O)c2[O-])c1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#126
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2cccc(Cl)c2)oc2ccccc12.[Cl-]
8 meas.
MOL
3D
#125
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2cccc(F)c2)oc2ccccc12.[Cl-]
8 meas.
MOL
3D
#124
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2ccccc2F)oc2ccccc12.[Cl-]
5 meas.
MOL
3D
#123
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2...
6 meas.
MOL
3D
#122
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#121
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
CC(=O)/C=C(/C)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#120
Ru(2)
donors: {"P": 2}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
4 meas.
MOL
3D
#119
Ru(2)
donors: {"O": 1, "P": 2}
OCCCCc1ccccc1.[Cl-].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
2 meas.
MOL
3D
#118
Ru(2)
donors: {"O": 1, "P": 2}
OCCCc1ccccc1.[Cl-].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
2 meas.
MOL
3D
#117
Ru(2)
donors: {"O": 1, "N": 2}
COc1ccc(/C([O-])=N/N=C\c2cccs2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#116
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C/c1cccs1)c1ccc(Br)cc1
4 meas.
MOL
3D
#115
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C/c1cccs1)c1ccc(Cl)cc1
4 meas.
MOL
3D
#114
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C/c1cccs1)c1ccccc1
4 meas.
MOL
3D
#113
Ru(2)
donors: {"O": 1, "N": 2}
COc1ccc(/C([O-])=N/N=C\c2cccs2)cc1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#112
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]/C(=N\N=C/c1cccs1)c1ccc(Br)cc1.c1ccccc1
4 meas.
MOL
3D
#111
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]/C(=N\N=C/c1cccs1)c1ccc(Cl)cc1.c1ccccc1
4 meas.
MOL
3D
#110
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]/C(=N\N=C/c1cccs1)c1ccccc1.c1ccccc1
4 meas.
MOL
3D
#109
Ru(2)
donors: {"O": 1, "N": 3}
COc1ccc(/C([O-])=N/N=C\C2=CNC3C=CC=CC23)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
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