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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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Os
Re
Rh
Ru
Ox. State
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Donor atoms
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#208
Ru(2)
donors: {"N": 7}
COc1ccc(C2CC(c3ccccc3)=NN2c2ccccn2)cc1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1
1 meas.
MOL
3D
#207
Ru(2)
donors: {"N": 7}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Clc1ccc(C2CC(c3ccccn3)=NN2c2ccccc2)cc1
1 meas.
MOL
3D
#206
Ru(2)
donors: {"N": 7}
COc1ccc(C2CC(c3ccccn3)=NN2c2ccccc2)cc1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1
1 meas.
MOL
3D
#205
Ru(2)
donors: {"N": 7}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Clc1ccc(C2CC(c3ccccn3)=NN2)cc1
1 meas.
MOL
3D
#204
Ru(2)
donors: {"N": 7}
COc1ccc(-c2cc(-c3ccccn3)n[nH]2)cc1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1
1 meas.
MOL
3D
#203
Ru(2)
donors: {"N": 7}
COc1ccc(C2CC(c3ccccn3)=NN2)cc1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1
1 meas.
MOL
3D
#202
Ru(2)
donors: {"N": 7}
Cc1ccnc(-c2cc(CN=C(O)c3cc(O)c4c(c3)C(=O)c3cccc(O)c3C4=O)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#201
Ru(3)
donors: {"O": 2, "N": 2, "P": 1}
[Cl-].[O-]c1ccccc1-c1nc2ccccc2s1.[O-]c1ccccc1-c1nc2ccccc2s1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#200
Ru(2)
donors: {"P": 2, "N": 6}
[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2[nH]c(-c3ccnc(-c4cc(-c5nc6ccccc6[nH]5)ccn4...
2 meas.
MOL
3D
#199
Ru(2)
donors: {"P": 2, "N": 4}
[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2[nH]c(COCc3nc4ccccc4[nH]3)nc2c1
2 meas.
MOL
3D
#198
Ru(2)
donors: {"O": 1, "N": 2}
COc1ccc(C([O-])=NN=C(C)c2ccccc2)cc1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#197
Ru(2)
donors: {"N": 2, "O": 1}
CC(=NN=C([O-])c1ccc(Br)cc1)c1ccccc1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#196
Ru(2)
donors: {"N": 2, "O": 1}
CC(=NN=C([O-])c1ccc(Cl)cc1)c1ccccc1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#195
Ru(2)
donors: {"N": 2, "O": 1}
CC(=NN=C([O-])c1ccccc1)c1ccccc1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#194
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[c-]1ccccc1-c1nc2ccccc2[nH]1
4 meas.
MOL
3D
#193
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2nc3ccccc3[n-]2)nc1
2 meas.
MOL
3D
#192
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2ncc[nH]2)nc1
4 meas.
MOL
3D
#191
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cn1c(-c2ccccn2)nc2ccccc21.[Cl-]
4 meas.
MOL
3D
#190
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2nc3ccccc3[nH]2)nc1
14 meas.
MOL
3D
#189
Ru(2)
donors: {"N": 3}
[Cl-].c1ccc(-c2nc3ccccc3[nH]2)nc1.c1ccccc1
2 meas.
MOL
3D
#188
Ru(2)
donors: {"O": 2, "N": 3}
OCCOc1ccccc1.[Cl-].c1ccc(-c2nc3ccccc3[nH]2)nc1
2 meas.
MOL
3D
#187
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1cccc(N=Cc2ccccn2)n1.[Cl-]
2 meas.
MOL
3D
#186
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1cc(Br)cnc1N=Cc1ccccn1.[Cl-]
2 meas.
MOL
3D
#185
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc(N=Cc2ccccn2)nc1.[Cl-]
2 meas.
MOL
3D
#184
Ru(2)
donors: {"O": 2, "N": 3}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1cnc(N=Cc2ccccn2)c([N+](=O)[O-])c1.[Cl-]
2 meas.
MOL
3D
#183
Ru(2)
donors: {"N": 3}
Cc1cc(N=Cc2ccccn2)ncc1Br.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#182
Ru(2)
donors: {"N": 3, "O": 1}
Cc1c(Br)cnc(N=Cc2ccccn2)c1[N+](=O)[O-].Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#181
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Ic1ccc(N=Cc2ccccn2)nc1.[Cl-]
2 meas.
MOL
3D
#180
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Clc1cnc(N=Cc2ccccn2)c(Cl)c1.[Cl-]
2 meas.
MOL
3D
#179
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1nc(N=Cc2ccccn2)c(Br)cc1Br.[Cl-]
2 meas.
MOL
3D
#178
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Clc1ccc(N=Cc2ccccn2)nc1.[Cl-]
2 meas.
MOL
3D
#177
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1ccc(N=Cc2ccccn2)nc1.[Cl-]
2 meas.
MOL
3D
#176
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Oc1cccnc1N=Cc1ccccn1.[Cl-]
2 meas.
MOL
3D
#175
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1ccnc(N=Cc2ccccn2)c1.[Cl-]
2 meas.
MOL
3D
#174
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1cccnc1N=Cc1ccccn1.[Cl-]
2 meas.
MOL
3D
#173
Ru(2)
donors: {"N": 3}
Brc1ccc(N=Cc2ccccn2)nc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#172
Ru(2)
donors: {"N": 3}
Brc1cnc(N=Cc2ccccn2)c(Br)c1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#171
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1cnc(N=Cc2ccccn2)c(Br)c1.[Cl-]
2 meas.
MOL
3D
#170
Ru(2)
donors: {"N": 3}
C(=Nc1ccccn1)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#169
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc2nc(-c3nc4ccccc4s3)ccc2c1
1 meas.
MOL
3D
#168
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc2nc(-c3nc4ccccc4o3)ccc2c1
4 meas.
MOL
3D
#167
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc2nc(-c3nc4ccccc4[nH]3)ccc2c1
4 meas.
MOL
3D
#166
Ru(2)
donors: {"N": 4}
O.O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#165
Ru(2)
donors: {"N": 5, "O": 1}
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#164
Ru(2)
donors: {"N": 2}
Cc1c(C)c(C)c(Cn2[c-][n+](C3=NC4C=CC=CC4S3)cc2)c(C)c1C.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#163
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[c-]1n(Cc2ccccc2)cc[n+]1C1=NC2C=CC=CC2S1
6 meas.
MOL
3D
#162
Ru(2)
donors: {"N": 2}
CCCCCCCCn1[c-][n+](C2=NC3C=CC=CC3S2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#161
Ru(2)
donors: {"N": 2}
CCCCn1[c-][n+](C2=NC3C=CC=CC3S2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#160
Ru(2)
donors: {"N": 2}
CC(C)n1[c-][n+](C2=NC3C=CC=CC3S2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#159
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cn1[c-][n+](C2=NC3C=CC=CC3S2)cc1.[Cl-]
6 meas.
MOL
3D
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138/142 (7058 total)