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D-MPNN
Coordination Complexes
7058 complexes in database
7058
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4834
Ru
1295
Ir
339
Rh
337
Os
253
Re
Metal
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#1408
Ru(2)
donors: {"N": 2, "O": 1}
CCOC(=O)[C@H](Cc1ccccc1)NC(C)=O.[Cl-].[O-]c1c(I)cc(I)c2cccnc12
4 meas.
MOL
3D
#1407
Ru(2)
donors: {"N": 2, "O": 1}
CCOC(=O)[C@H](Cc1ccccc1)NC(C)=O.[Cl-].[O-]c1c(Br)cc(Br)c2cccnc12
4 meas.
MOL
3D
#1406
Ru(2)
donors: {"N": 2, "O": 1}
CCOC(=O)[C@H](Cc1ccccc1)NC(C)=O.[Cl-].[O-]c1c(Cl)cc(Cl)c2cccnc12
4 meas.
MOL
3D
#1405
Ru(2)
donors: {"N": 2, "O": 1}
CCOC(=O)[C@H](Cc1ccccc1)NC(C)=O.[Cl-].[O-]c1cccc2cccnc12
4 meas.
MOL
3D
#1404
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[I-].[O-]c1c(I)cc(Cl)c2cccnc12
9 meas.
MOL
3D
#1403
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Br-].[O-]c1c(I)cc(Cl)c2cccnc12
3 meas.
MOL
3D
#1402
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[I-].[O-]c1c(I)cc(I)c2cccnc12
9 meas.
MOL
3D
#1401
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Br-].[O-]c1c(I)cc(I)c2cccnc12
3 meas.
MOL
3D
#1400
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1c(I)cc(I)c2cccnc12
7 meas.
MOL
3D
#1399
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[I-].[O-]c1c(Br)cc(Br)c2cccnc12
10 meas.
MOL
3D
#1398
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Br-].[O-]c1c(Br)cc(Br)c2cccnc12
3 meas.
MOL
3D
#1397
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[I-].[O-]c1c(Cl)cc(Cl)c2cccnc12
8 meas.
MOL
3D
#1396
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Br-].[O-]c1c(Cl)cc(Cl)c2cccnc12
3 meas.
MOL
3D
#1395
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1c(Cl)cc(Cl)c2cccnc12
5 meas.
MOL
3D
#1394
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[I-].[O-]c1cccc2cccnc12
3 meas.
MOL
3D
#1393
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Br-].[O-]c1cccc2cccnc12
3 meas.
MOL
3D
#1392
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.[O-]c1cccc2cccnc12
4 meas.
MOL
3D
#1391
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cn1[c-][n+](C)c2ccccc21.[Cl-].[Cl-]
4 meas.
MOL
3D
#1390
Ru(2)
donors: {"N": 4}
Cc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1C.[Cl-].c1ccccc1
6 meas.
MOL
3D
#1389
Ru(2)
donors: {"N": 4}
[Cl-].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccccc1
2 meas.
MOL
3D
#1388
Ru(2)
donors: {"N": 2}
Cc1c(C)c2cccnc2c2ncccc12.[Cl-].c1ccccc1
2 meas.
MOL
3D
#1387
Ru(2)
donors: {"N": 2}
[Cl-].c1ccccc1.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#1386
Ru(2)
donors: {"O": 3, "N": 3}
O=S(=O)([O-])c1cccc(-c2ccnc3c2ccc2c(-c4cccc(S(=O)(=O)[O-])c4)ccnc23)c1.O=S(=O)([O-])c1cccc(-c2ccnc3c2ccc2c(-c4cccc(S(=O)...
6 meas.
MOL
3D
#1385
Ru(2)
donors: {"O": 2, "N": 3}
O=S(=O)([O-])c1cccc(-c2ccnc3c2ccc2c(-c4cccc(S(=O)(=O)[O-])c4)ccnc23)c1.O=S(=O)([O-])c1cccc(-c2ccnc3c2ccc2c(-c4cccc(S(=O)...
6 meas.
MOL
3D
#1384
Ru(2)
donors: {"O": 2, "N": 6}
O=S(=O)([O-])c1cccc(-c2ccnc3c2ccc2c(-c4cccc(S(=O)(=O)[O-])c4)ccnc23)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(...
6 meas.
MOL
3D
#1383
Ru(2)
donors: {"N": 1}
CC(C)(C)c1ccc(Cn2[c-][n+](Cc3ccc(C(C)(C)C)cc3)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
7 meas.
MOL
3D
#1382
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1ccccc1)[N-]c1cccc(C)c1C.C/C(=C/C(=O)c1ccccc1)[N-]c1cccc(C)c1C.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1381
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1ccccc1)[N-]c1cccc(C)c1.C/C(=C/C(=O)c1ccccc1)[N-]c1cccc(C)c1.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1380
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1ccccc1)[N-]c1cccc(Br)c1.C/C(=C/C(=O)c1ccccc1)[N-]c1cccc(Br)c1.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1379
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1ccccc1)[N-]c1ccc(Cl)cc1.C/C(=C/C(=O)c1ccccc1)[N-]c1ccc(Cl)cc1.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1378
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1ccccc1)[N-]c1ccc(Cl)cc1Cl.C/C(=C/C(=O)c1ccccc1)[N-]c1ccc(Cl)cc1Cl.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1377
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1ccccc1)[N-]c1ccc(F)cc1.C/C(=C/C(=O)c1ccccc1)[N-]c1ccc(F)cc1.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1376
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1ccccc1)[N-]c1ccc(F)cc1F.C/C(=C/C(=O)c1ccccc1)[N-]c1ccc(F)cc1F.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1375
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1ccccc1)[N-]c1ccccc1F.C/C(=C/C(=O)c1ccccc1)[N-]c1ccccc1F.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1374
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1ccc(C)cc1)[N-]c1ccccc1.C/C(=C/C(=O)c1ccc(C)cc1)[N-]c1ccccc1.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1373
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1ccc(Br)cc1)[N-]c1ccccc1.C/C(=C/C(=O)c1ccc(Br)cc1)[N-]c1ccccc1.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1372
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1cccc(Br)c1)[N-]c1ccccc1.C/C(=C/C(=O)c1cccc(Br)c1)[N-]c1ccccc1.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1371
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1ccc(Cl)cc1)[N-]c1ccccc1.C/C(=C/C(=O)c1ccc(Cl)cc1)[N-]c1ccccc1.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1370
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1ccc(Cl)cc1Cl)[N-]c1ccccc1.C/C(=C/C(=O)c1ccc(Cl)cc1Cl)[N-]c1ccccc1.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1369
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1ccc(F)cc1)[N-]c1ccccc1.C/C(=C/C(=O)c1ccc(F)cc1)[N-]c1ccccc1.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1368
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1cccc(F)c1)[N-]c1ccccc1.C/C(=C/C(=O)c1cccc(F)c1)[N-]c1ccccc1.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1367
Ru(2)
donors: {"N": 2, "O": 2}
C/C(=C/C(=O)c1ccccc1)[N-]c1ccccc1.C/C(=C/C(=O)c1ccccc1)[N-]c1ccccc1.[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#1366
Ru(2)
donors: {"N": 8}
c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
2 meas.
MOL
3D
#1365
Ru(2)
donors: {"N": 8}
COC(=O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
2 meas.
MOL
3D
#1364
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1nc(-c2nc(C)c(C)[nH]2)[nH]c1C.[Cl-]
4 meas.
MOL
3D
#1363
Ru(3)
donors: {"N": 5}
Cc1cc(C)n(-c2cccc(-n3nc(C)cc3C)n2)n1.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#1362
Ru(3)
donors: {"N": 5}
[Cl-].[Cl-].[Cl-].c1cc(-n2cccn2)nc(-n2cccn2)c1
1 meas.
MOL
3D
#1361
Ru(3)
donors: {"N": 3}
Cc1cc(C)n(-c2cccc(Br)n2)n1.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#1360
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1nccn1CCCCCCc1ccnc(-c2ccccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)...
4 meas.
MOL
3D
#1359
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1nccn1CCCc1ccnc(-c2ccccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccn...
9 meas.
MOL
3D
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