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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
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Rh
Ru
Ox. State
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Donor atoms
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#1508
Ru(2)
donors: {"N": 6}
NCCCCCCN.[Cl-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
1 meas.
MOL
3D
#1507
Ru(2)
donors: {"N": 8}
NCCCCCCN.NCCCCCCN.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#1506
Ru(2)
donors: {"N": 6}
NCCCCCCN.[Cl-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#1505
Ru(2)
donors: {"N": 6}
CCCCCCN.CCCCCCN.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#1504
Ru(2)
donors: {"N": 8}
NCCCCCCN.NCCCCCCN.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#1503
Ru(2)
donors: {"N": 5}
CCCCCCN.[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#1502
Ru(2)
donors: {"N": 6}
NCCCCCCN.[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#1501
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1cc2c(cc1-c1nc3c4cccnc4c4ncccc4c3[nH]1)OCO2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#1500
Ru(2)
donors: {"N": 5, "O": 1}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=[N+]([O-])c1cc2c(cc1-c1nc3c4cccnc4c4ncccc4c3[nH]1)OCO2
6 meas.
MOL
3D
#1499
Ru(2)
donors: {"N": 6}
CCN(CC)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
5 meas.
MOL
3D
#1498
Ru(2)
donors: {"N": 6}
CCN(CC)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#1497
Ru(2)
donors: {"N": 6}
CCN(CC)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#1496
Ru(3)
donors: {"N": 2}
O.O=C(c1ccccc1)N(O)c1ccccc1.O=C(c1ccccc1)N(O)c1ccccc1.[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#1495
Ru(3)
donors: {"N": 4, "O": 2}
N/C([O-])=N\O.N/C([O-])=N\O.O.[Cl-]
2 meas.
MOL
3D
#1494
Ru(3)
donors: {"O": 2, "N": 2}
C/C([O-])=N\O.C/C([O-])=N\O.O.[Cl-]
2 meas.
MOL
3D
#1493
Ru(3)
donors: {"O": 2, "N": 2}
O.[Cl-].[O-]/C(=N/O)c1ccccc1O.[O-]/C(=N/O)c1ccccc1O
2 meas.
MOL
3D
#1492
Ru(3)
donors: {"O": 2, "N": 2}
O.[Cl-].[O-]/C(=N/O)c1ccccc1.[O-]/C(=N/O)c1ccccc1
2 meas.
MOL
3D
#1491
Ru(2)
donors: {"N": 6}
[c-]1ccccc1/N=N/c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#1490
Ru(2)
donors: {"N": 5}
Cc1c[c-]c(-c2ccccn2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#1489
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.O=C1c2cccc3cccc(c23)C(=O)N1c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
7 meas.
MOL
3D
#1488
Ru(2)
donors: {"N": 6}
O=C1c2cccc3cccc(c23)C(=O)N1c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
7 meas.
MOL
3D
#1487
Ru(2)
donors: {"N": 6}
O=C1c2cccc3cccc(c23)C(=O)N1c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
7 meas.
MOL
3D
#1486
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.NNC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
1 meas.
MOL
3D
#1485
Ru(2)
donors: {"N": 6}
NNC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#1484
Ru(2)
donors: {"N": 6}
NNC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#1483
Ru(2)
donors: {"O": 1}
COc1ccccc1/C=C/C(=O)/C=C([O-])/C=C/c1ccccc1OC.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1482
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C([O-])/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1.[Cl-]
3 meas.
MOL
3D
#1481
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C([O-])/C=C/c1ccc(F)cc1)/C=C/c1ccc(F)cc1.[Cl-]
3 meas.
MOL
3D
#1480
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C([O-])/C=C/c1ccccc1)/C=C/c1ccccc1.[Cl-]
3 meas.
MOL
3D
#1479
Ru(2)
donors: {"N": 2, "O": 1, "P": 2}
CCN(CC)C(N)=S.[C-]#[O+].[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#1478
Ru(2)
donors: {"N": 3, "O": 2, "P": 2}
CCN(CC)C(=S)/N=C(\[N-]c1ccccc1[O-])c1ccccc1.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#1477
Ru(3)
donors: {"N": 4, "S": 1, "O": 1}
CC(C)(C)c1cc(C(C)(C)C)n2ncnc2n1.CC(C)(C)c1cc(C(C)(C)C)n2ncnc2n1.CS(C)=O.[Cl-].[Cl-].[Cl-]
6 meas.
MOL
3D
#1476
Ru(2)
donors: {"N": 4, "O": 1, "As": 2}
O=C1[C-]=C(n2cccn2)C(=O)C=C1n1cccn1.[C-]#[O+].[Cl-].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#1475
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
O=C1[C-]=C(n2cccn2)C(=O)C=C1n1cccn1.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#1474
Ru(2)
donors: {"N": 8}
C(#Cc1cccs1)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#1473
Ru(2)
donors: {"N": 8}
C(#Cc1cccs1)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#1472
Ru(2)
donors: {"N": 1}
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3c[c-]c(-c4ccccn4)cc3)=CC[C@@H]12.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1471
Ru(2)
donors: {"N": 1}
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccccn3)=CC[C@@H]12.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#1470
Ru(2)
donors: {"N": 1}
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccccn3)=[C-]C[C@@H]12.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1469
Ru(2)
donors: {"N": 1}
Brc1c[c-]c(-c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1468
Ru(2)
donors: {"P": 1}
[Cl-].[Cl-].c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1.c1ccccc1
3 meas.
MOL
3D
#1467
Ru(2)
donors: {"P": 1}
[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccccc1
3 meas.
MOL
3D
#1466
Ru(2)
donors: {"O": 3, "N": 2, "P": 2}
[C-]#[O+].[O-]/C(=N\N=C\c1ccccc1[O-])c1cccs1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1465
Ru(3)
donors: {"O": 1, "N": 2, "P": 2}
[Cl-].[Cl-].[O-]/C(=N\N=C/c1ccccc1O)c1cccs1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1464
Ru(2)
donors: {"O": 1, "N": 4}
COc1ccc2cc([C@@H](C)C(=O)[O-])ccc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#1463
Ru(2)
donors: {"O": 1, "N": 4}
COc1ccc2cc([C@@H](C)C(=O)[O-])ccc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#1462
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(/N=N/c2ccccn2)cc1
6 meas.
MOL
3D
#1461
Ru(2)
donors: {"N": 3}
Cc1c(C)c(C)c(C)c(C)c1C.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=N/c2ccccc2)cc1.[Cl-]
1 meas.
MOL
3D
#1460
Ru(2)
donors: {"N": 3}
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=N/c2ccccc2)cc1.[Cl-].c1ccccc1
1 meas.
MOL
3D
#1459
Ru(2)
donors: {"N": 3}
CS(=O)(=O)[N-]c1ccccc1/N=N/c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
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