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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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#1208
Ru(2)
donors: {"N": 8}
CC(C)(C)c1ccc(-n2c(-c3ccc(F)c(F)c3)nc3c4cccnc4c4ncccc4c32)cc1.Cc1ccnc2c1ccc1c(C)ccnc12.Cc1ccnc2c1ccc1c(C)ccnc12
2 meas.
MOL
3D
#1207
Ru(2)
donors: {"N": 8}
CC(C)(C)c1ccc(-n2c(-c3ccc(F)cc3)nc3c4cccnc4c4ncccc4c32)cc1.Cc1ccnc2c1ccc1c(C)ccnc12.Cc1ccnc2c1ccc1c(C)ccnc12
2 meas.
MOL
3D
#1206
Ru(3)
donors: {"N": 3}
[Cl-].[Cl-].[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
17 meas.
MOL
3D
#1205
Ru(2)
donors: {"N": 4, "O": 1}
Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.O=C([O-])c1ccccn1.[Cl-]
3 meas.
MOL
3D
#1204
Ru(2)
donors: {"N": 5}
Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Cl-].c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#1203
Ru(2)
donors: {"N": 5}
Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.NC1CCCCC1N.[Cl-]
6 meas.
MOL
3D
#1202
Ru(2)
donors: {"P": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
10 meas.
MOL
3D
#1201
Ru(2)
donors: {"N": 8}
OCc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#1200
Ru(2)
donors: {"N": 6}
Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
15 meas.
MOL
3D
#1199
Ru(2)
donors: {"N": 6}
Clc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1
5 meas.
MOL
3D
#1198
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.Cc1ccnc(-c2cc(/C=N/N3C(=O)C4=CC=CC5C(N6CCCC6)=CC=C(C3=O)C45)ccn2)c1.[Cl-]
4 meas.
MOL
3D
#1197
Ru(2)
donors: {"N": 2, "O": 1}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2cc(F)ccc2n1.OCCCCc1ccccc1.[Cl-]
2 meas.
MOL
3D
#1196
Ru(2)
donors: {"N": 2, "O": 1}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2cc(F)ccc2n1.OCCCc1ccccc1.[Cl-]
2 meas.
MOL
3D
#1195
Ru(2)
donors: {"N": 2, "O": 1}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2cc(F)ccc2n1.OCCc1ccccc1.[Cl-]
2 meas.
MOL
3D
#1194
Ru(2)
donors: {"O": 2, "N": 6}
O=C(O)c1cc2ccccc2c2ccccc12.c1ccc(-c2nccc3c2[nH]c2ccccc23)nc1.c1ccc(-c2nccc3c2[nH]c2ccccc23)nc1
2 meas.
MOL
3D
#1193
Ru(2)
donors: {"N": 8}
COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.O.O
6 meas.
MOL
3D
#1192
Ru(2)
donors: {"N": 6}
COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.N=C(N)NCCCC1NC(=O)C(CCCCNC(=O)CCCNC(...
6 meas.
MOL
3D
#1191
Ru(2)
donors: {"N": 6}
COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.O=C(O)CCCNC(=O)c1ccc2nc(-c3ccccn3)[n...
6 meas.
MOL
3D
#1190
Ru(2)
donors: {"N": 5}
O.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
1 meas.
MOL
3D
#1189
Ru(2)
donors: {"P": 1, "S": 1, "N": 6}
COc1ccc(P(=S)([S-])N2CCOCC2)cc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
3 meas.
MOL
3D
#1188
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccc2ccccc2c1/C=N/c1cc(Cl)c(Cl)cc1Cl.c1ccccc1
3 meas.
MOL
3D
#1187
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccc2ccccc2c1/C=N/CC1CCCCC1.c1ccccc1
3 meas.
MOL
3D
#1186
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccc2ccccc2c1/C=N/Cc1ccccc1.c1ccccc1
3 meas.
MOL
3D
#1185
Ru(2)
donors: {"N": 1, "O": 1}
CCCCCC/N=C/c1c([O-])ccc2ccccc12.[Cl-].c1ccccc1
3 meas.
MOL
3D
#1184
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccc2ccccc2c1/C=N/c1ccco1.c1ccccc1
3 meas.
MOL
3D
#1183
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccnc(-c2cc(C)ccn2)c1.[Cl-]
6 meas.
MOL
3D
#1182
Ru(2)
donors: {"N": 6}
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1/N=C/c1cc2cccnc2c2ncccc12.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#1181
Ru(2)
donors: {"N": 6}
CCNc1cc2c(cc1C)C1(c3cc(C)c(NCC)cc3O2)c2ccccc2C(=O)N1/N=C/c1cc2cccnc2c2ncccc12.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#1180
Ru(2)
donors: {"N": 6}
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1/N=C/c1ccnc(-c2cc(C)ccn2)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#1179
Ru(2)
donors: {"N": 6}
CCNc1cc2c(cc1C)C1(c3cc(C)c(NCC)cc3O2)c2ccccc2C(=O)N1/N=C/c1ccnc(-c2cc(C)ccn2)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#1178
Ru(2)
donors: {"N": 6}
CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1.CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1.CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1
3 meas.
MOL
3D
#1177
Ru(2)
donors: {"O": 3, "N": 2, "As": 2}
[C-]#[O+].[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1176
Ru(3)
donors: {"O": 1, "N": 2, "As": 2}
[Cl-].[Cl-].[O-]/C(=N\N=C/c1c(O)ccc2ccccc12)c1ccccc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1175
Ru(2)
donors: {"O": 3, "N": 2, "P": 2}
[C-]#[O+].[O-]/C(=N\N=C\c1c([O-])ccc2ccccc12)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1174
Ru(3)
donors: {"O": 1, "N": 2, "P": 2}
[Cl-].[Cl-].[O-]/C(=N\N=C/c1c(O)ccc2ccccc12)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1173
Ru(2)
donors: {"N": 8}
[Cl-].c1cc2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c1)c2c34.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
6 meas.
MOL
3D
#1172
Ru(2)
donors: {"N": 8}
[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2c(c1)c1ccccc1c1nc(-c3cnccn3)nnc21
6 meas.
MOL
3D
#1171
Ru(2)
donors: {"N": 8}
[Cl-].c1cc2c3c(cccc3c1)-c1nc(-c3cnccn3)nnc1-2.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
6 meas.
MOL
3D
#1170
Ru(2)
donors: {"N": 5}
[Cl-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1
12 meas.
MOL
3D
#1169
Ru(2)
donors: {"N": 6}
CC(C)(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(C(C)(C)C)...
8 meas.
MOL
3D
#1168
Ru(2)
donors: {"N": 6}
CC(C)(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(C(C)(C)C)...
8 meas.
MOL
3D
#1167
Ru(2)
donors: {"N": 6}
C1=CNc2cc(-c3ccc4nc5c6cccnc6c6ncccc6c5nc4c3)ccc2N1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1
5 meas.
MOL
3D
#1166
Ru(2)
donors: {"N": 6}
C1=CNc2cc(-c3ccc4nc5c6cccnc6c6ncccc6c5nc4c3)ccc2N1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#1165
Ru(2)
donors: {"N": 6}
C1=CNc2cc(-c3ccc4nc5c6cccnc6c6ncccc6c5nc4c3)ccc2N1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#1164
Ru(2)
donors: {"N": 6}
C1=CNc2cc(-c3ccc4nc5c6cccnc6c6ncccc6c5nc4c3)ccc2N1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
5 meas.
MOL
3D
#1163
Ru(3)
donors: {"N": 6, "O": 2}
CC(=N)NCCO.CC(=N)NCCO.[O-]c1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1[O-]
4 meas.
MOL
3D
#1162
Ru(3)
donors: {"N": 6, "O": 2}
CC(=N)N1CCOCC1.CC(=N)N1CCOCC1.[O-]c1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1[O-]
4 meas.
MOL
3D
#1161
Ru(3)
donors: {"N": 6, "O": 2}
CCCCCCNC(C)=N.CCCCCCNC(C)=N.[O-]c1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1[O-]
7 meas.
MOL
3D
#1160
Ru(3)
donors: {"N": 4, "O": 1}
CC(=N)NCCN.CC(=N)NCCN.[O-]c1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1[O-]
4 meas.
MOL
3D
#1159
Ru(3)
donors: {"N": 6, "O": 2}
CCCCNC(C)=N.CCCCNC(C)=N.[O-]c1ccccc1/C=N/C1CCCCC1/N=C/c1ccccc1[O-]
7 meas.
MOL
3D
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118/142 (7058 total)