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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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Ir
Os
Re
Rh
Ru
Ox. State
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Donor atoms
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#6608
Os(2)
donors: {"N": 2}
Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]([NH-])c2ccccc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
6 meas.
MOL
3D
#6607
Os(2)
donors: {"N": 2}
Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]([NH-])c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
7 meas.
MOL
3D
#6606
Os(2)
donors: {"N": 3, "O": 1}
CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)[N-][C@H](c4ccccc4)[C@H]([NH-])c4ccccc4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1.Cc1c...
5 meas.
MOL
3D
#6605
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[NH-][C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1ccccc1)c1ccccc1
7 meas.
MOL
3D
#6604
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[NH-][C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1
7 meas.
MOL
3D
#6603
Os(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.[NH-][C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
7 meas.
MOL
3D
#6602
Os(2)
donors: {"N": 2}
CS(=O)(=O)[N-][C@H](c1ccccc1)[C@H]([NH-])c1ccccc1.Cc1ccc(C(C)C)cc1
7 meas.
MOL
3D
#6601
Os(2)
donors: {"N": 8}
[Cl-].[Cl-].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
3 meas.
MOL
3D
#6600
Os(2)
donors: {"N": 8}
[Cl-].[Cl-].c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1
3 meas.
MOL
3D
#6599
Os(2)
donors: {"N": 8}
[Cl-].[Cl-].c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]c1
3 meas.
MOL
3D
#6598
Os(2)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2cccnc2)c(Cl)c1Cl.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6597
Os(2)
donors: {"N": 1}
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2cccnc2)c(Cl)c1Cl.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6596
Os(2)
donors: {"P": 1}
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccc(P(c3ccccc3)c3ccccc3)cc2)c(Cl)c1Cl.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6595
Os(2)
donors: {"O": 2}
C=C(CC)C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl.CC(=O)/C=C(/C)[O-].Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#6594
Os(2)
donors: {"N": 6}
c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
2 meas.
MOL
3D
#6593
Os(2)
donors: {"N": 6}
c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
2 meas.
MOL
3D
#6592
Os(2)
donors: {"N": 6}
c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
2 meas.
MOL
3D
#6591
Os(2)
donors: {"N": 3}
CN(C)c1ccncc1.Cc1ccc(C(C)C)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1
3 meas.
MOL
3D
#6590
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1.c1ccncc1
3 meas.
MOL
3D
#6589
Os(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1.[Cl-]
3 meas.
MOL
3D
#6588
Os(2)
donors: {"N": 3}
CN(C)c1ccncc1.Cc1ccc(C(C)C)cc1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#6587
Os(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#6586
Os(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc(/N=C/c2ccccn2)cc1.[Cl-]
1 meas.
MOL
3D
#6585
Os(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc(/N=C/c2ccccn2)cc1.[I-]
1 meas.
MOL
3D
#6584
Os(2)
donors: {"N": 3}
C(=N/c1ccccn1)\c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#6583
Os(2)
donors: {"N": 3}
C(=N/c1ccccn1)\c1ccccn1.[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6582
Os(2)
donors: {"N": 3}
C(=N/c1ccccn1)\c1ccccn1.Cc1ccc(C(C)C)cc1.[I-]
1 meas.
MOL
3D
#6581
Os(2)
donors: {"N": 3}
C(=N/c1ccccn1)\c1ccccn1.[I-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6580
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccnc(/C=N/c2ccccc2)c1.[Cl-]
1 meas.
MOL
3D
#6579
Os(2)
donors: {"N": 2}
Clc1ccnc(/C=N/c2ccccc2)c1.[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6578
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccnc(/C=N/c2ccccc2)c1.[I-]
1 meas.
MOL
3D
#6577
Os(2)
donors: {"N": 2}
Clc1ccnc(/C=N/c2ccccc2)c1.[I-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6576
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Ic1ccc(/C=N/c2ccccc2)nc1.[I-]
1 meas.
MOL
3D
#6575
Os(2)
donors: {"N": 2}
Ic1ccc(/C=N/c2ccccc2)nc1.[I-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6574
Os(2)
donors: {"N": 2}
Brc1ccc(/C=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#6573
Os(2)
donors: {"N": 2}
Brc1ccc(/C=N/c2ccccc2)nc1.[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6572
Os(2)
donors: {"N": 2}
Brc1ccc(/C=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[I-]
1 meas.
MOL
3D
#6571
Os(2)
donors: {"N": 2}
Brc1ccc(/C=N/c2ccccc2)nc1.[I-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6570
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc(/C=N/c2ccccc2)nc1.[Cl-]
1 meas.
MOL
3D
#6569
Os(2)
donors: {"N": 2}
Clc1ccc(/C=N/c2ccccc2)nc1.[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6568
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc(/C=N/c2ccccc2)nc1.[I-]
1 meas.
MOL
3D
#6567
Os(2)
donors: {"N": 2}
Clc1ccc(/C=N/c2ccccc2)nc1.[I-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6566
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Fc1ccc(/C=N/c2ccccc2)nc1.[Cl-]
1 meas.
MOL
3D
#6565
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Fc1ccc(/C=N/c2ccccc2)nc1.[I-]
1 meas.
MOL
3D
#6564
Os(2)
donors: {"N": 2}
Fc1ccc(/C=N/c2ccccc2)nc1.[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6563
Os(2)
donors: {"N": 2}
Fc1ccc(/C=N/c2ccccc2)nc1.[I-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6562
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1cccc(/C=N/c2ccccc2)n1.[Cl-]
1 meas.
MOL
3D
#6561
Os(2)
donors: {"N": 2}
Clc1cccc(/C=N/c2ccccc2)n1.[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6560
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1cccc(/C=N/c2ccccc2)n1.[I-]
1 meas.
MOL
3D
#6559
Os(2)
donors: {"N": 2}
Clc1cccc(/C=N/c2ccccc2)n1.[I-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
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10/142 (7058 total)