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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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#1308
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)c1nc3cc4nc5c6cccnc6c6nc...
4 meas.
MOL
3D
#1307
Ru(3)
donors: {"N": 3}
COc1ccc2c(CN(Cc3ccccn3)Cc3ccccn3)cc(=O)oc2c1.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#1306
Ru(3)
donors: {"N": 5}
O=c1cc(CN(Cc2ccccn2)Cc2ccccn2)[nH]c(=O)[n-]1.[Cl-].[Cl-]
2 meas.
MOL
3D
#1305
Ru(2)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
8 meas.
MOL
3D
#1304
Ru(2)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1cc2ccccc2cn1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1303
Ru(2)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1302
Ru(2)
donors: {"O": 1, "N": 2}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1cc2ccccc2cn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1301
Ru(2)
donors: {"O": 1, "N": 2}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1300
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]C(=S)Nc1ccccc1)C1CCCCC1.[Cl-]
7 meas.
MOL
3D
#1299
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccccc1NC(=S)[N-]C(=O)c1ccc(Cl)cc1Cl.[Cl-]
6 meas.
MOL
3D
#1298
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.O=C(/C=C(\[O-])c1ccccc1O)c1ccccc1.c1ccccc1
3 meas.
MOL
3D
#1297
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)c(C)c(C)c1C.O=C(/C=C(\[O-])c1ccccc1O)c1ccccc1
3 meas.
MOL
3D
#1296
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccccc1O)c1ccccc1
3 meas.
MOL
3D
#1295
Ru(2)
donors: {"O": 1}
O=C(/C=C(\[O-])c1ccccc1O)c1ccccc1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#1294
Ru(2)
donors: {"O": 1}
Cc1c(C)c(C)c(C)c(C)c1C.O=C(/C=C(\[O-])c1ccccc1O)c1ccccc1.[Cl-]
3 meas.
MOL
3D
#1293
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccccc1O)c1ccccc1.[Cl-]
3 meas.
MOL
3D
#1292
Ru(2)
donors: {"N": 8}
CC#N.c1cc(-c2nccs2)nc(-c2nccs2)c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
3 meas.
MOL
3D
#1291
Ru(2)
donors: {"N": 7}
[Cl-].c1cc(-c2nccs2)nc(-c2nccs2)c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
3 meas.
MOL
3D
#1290
Ru(2)
donors: {"N": 7, "P": 1}
C1N2CN3CN1CP(C2)C3.CC(=O)[N-]c1nnc(S([NH-])(=O)=O)s1.Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#1289
Ru(2)
donors: {"N": 4}
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1288
Ru(2)
donors: {"N": 2}
C/C(=N\O)c1nccs1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1287
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O/N=C(\c1ccccc1)c1ccccn1.[Cl-]
2 meas.
MOL
3D
#1286
Ru(2)
donors: {"N": 3, "O": 1}
Cc1ccc(C(C)C)cc1.N#C/C(=N\[O-])c1ccccn1.[Cl-]
2 meas.
MOL
3D
#1285
Ru(2)
donors: {"N": 5, "O": 2}
Cc1cccnc1.Cc1cccnc1.N#[O+].O=N[O-].O=N[O-].[OH-]
2 meas.
MOL
3D
#1284
Ru(2)
donors: {"N": 5, "O": 2}
Cc1ccncc1.Cc1ccncc1.N#[O+].O=N[O-].O=N[O-].[OH-]
2 meas.
MOL
3D
#1283
Ru(2)
donors: {"N": 5, "O": 3}
N#[O+].O=N[O-].O=N[O-].O=N[O-].[OH-].c1ccncc1
2 meas.
MOL
3D
#1282
Ru(2)
donors: {"N": 5, "O": 2}
N#[O+].O=N[O-].O=N[O-].[OH-].c1ccncc1.c1ccncc1
2 meas.
MOL
3D
#1281
Ru(2)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)c(C)c(C)c1C.[Cl-].[O-]c1cccc2c(Cl)cc(I)nc12
3 meas.
MOL
3D
#1280
Ru(2)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)c(C)c(C)c1C.[Cl-].[O-]c1cccc2c(Br)cc(Br)nc12
3 meas.
MOL
3D
#1279
Ru(2)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)c(C)c(C)c1C.[Cl-].[O-]c1cccc2c(Cl)ccnc12
3 meas.
MOL
3D
#1278
Ru(2)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)c(C)c(C)c1C.[Cl-].[O-]c1cccc2cccnc12
3 meas.
MOL
3D
#1277
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1c(Br)cc(Br)c2cccnc12
17 meas.
MOL
3D
#1276
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1ccc(Cl)c2cccnc12
5 meas.
MOL
3D
#1275
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1cccc2cccnc12
9 meas.
MOL
3D
#1274
Ru(2)
donors: {"N": 6}
c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccncc1
2 meas.
MOL
3D
#1273
Ru(2)
donors: {"N": 6}
c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.c1ccncc1
2 meas.
MOL
3D
#1272
Ru(2)
donors: {"N": 6}
N#C/N=C(/NCCCCCCOc1ccc(Cl)cc1)Nc1ccncc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
2 meas.
MOL
3D
#1271
Ru(2)
donors: {"N": 6}
N#C/N=C(/NCCCCCCOc1ccc(Cl)cc1)Nc1ccncc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#1270
Ru(2)
donors: {"N": 6, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.COc1ccc2cc(C(C)C(=O)Nc3cc(-[n+]4[c-]n(C)c5ccccc54)[c-]c(-[n+]4[c-]n(C)c...
5 meas.
MOL
3D
#1269
Ru(2)
donors: {"N": 2}
Cc1c(C)c(C)c(C)c(C)c1C.Fc1c(F)c(F)c(/C(=C2\C=CC=N2)c2ccc[n-]2)c(F)c1F.[Cl-]
1 meas.
MOL
3D
#1268
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Fc1c(F)c(F)c(/C(=C2\C=CC=N2)c2ccc[n-]2)c(F)c1F.[Cl-]
1 meas.
MOL
3D
#1267
Ru(2)
donors: {"N": 2}
Cc1c(C)c(C)c(C)c(C)c1C.Fc1ccc(/C(=C2\C=CC=N2)c2ccc[n-]2)cc1.[Cl-]
1 meas.
MOL
3D
#1266
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Fc1ccc(/C(=C2\C=CC=N2)c2ccc[n-]2)cc1.[Cl-]
1 meas.
MOL
3D
#1265
Ru(2)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.C=C(CC)C(=O)c1ccc(OCC(=O)NCc2ccccc2)c(Cl)c1Cl.[Cl-].[Cl-]
2 meas.
MOL
3D
#1264
Ru(2)
donors: {"N": 5, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)c(C)c(C)c1C.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1cccc2ccccc12
3 meas.
MOL
3D
#1263
Ru(2)
donors: {"N": 5, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)c(C)c(C)c1C.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1ccccc1
3 meas.
MOL
3D
#1262
Ru(2)
donors: {"N": 5, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1cccc2ccccc12
3 meas.
MOL
3D
#1261
Ru(2)
donors: {"N": 5, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1ccccc1
3 meas.
MOL
3D
#1260
Ru(2)
donors: {"N": 2, "O": 1}
Cc1c(C)c(C)c(C)c(C)c1C.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1cccc2ccccc12.[Cl-]
3 meas.
MOL
3D
#1259
Ru(2)
donors: {"N": 2, "O": 1}
Cc1c(C)c(C)c(C)c(C)c1C.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1ccccc1.[Cl-]
3 meas.
MOL
3D
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