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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
Re
Rh
Ru
Ox. State
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Donor atoms
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#6658
Os(2)
donors: {"N": 1}
C=C(CC)C(=O)c1ccc(OCC(=O)OCC(C)(COC(=O)CCc2cccnc2)COC(=O)COc2ccc(C(=O)C(=C)CC)c(Cl)c2Cl)c(Cl)c1Cl.Cc1ccc(C(C)C)cc1.[Cl-]...
3 meas.
MOL
3D
#6657
Os(2)
donors: {"N": 1}
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)CCc2cccnc2)c(Cl)c1Cl.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6656
Os(4)
donors: {"N": 2}
[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].c1ccc2[nH]ncc2c1
3 meas.
MOL
3D
#6655
Os(4)
donors: {"N": 2}
[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].c1ccc2n[nH]cc2c1
3 meas.
MOL
3D
#6654
Os(2)
donors: {"N": 1, "S": 1}
Cc1ccc(C(C)C)cc1.O=C(NC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O)C1CCC(C(=S)[S-])CC1.[Cl-]
3 meas.
MOL
3D
#6653
Os(2)
donors: {"N": 1, "S": 1}
Cc1ccc(C(C)C)cc1.O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C1CCC(C(=S)[S-])CC1.[Cl-]
3 meas.
MOL
3D
#6652
Os(2)
donors: {"N": 1, "S": 1}
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C1CCC(C(=S)[S-])CC1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6651
Os(2)
donors: {"N": 1, "S": 1}
Cc1ccc(C(C)C)cc1.NC(=O)C1CCC(C(=S)[S-])CC1.[Cl-]
3 meas.
MOL
3D
#6650
Os(2)
donors: {"N": 5}
CC(C)n1ccn(-c2cccc(-n3ccn(C(C)C)c3=S)n2)c1=S.Cc1ccc(C(C)C)cc1
2 meas.
MOL
3D
#6649
Os(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.Cn1ccn(-c2cccc(-n3ccn(C)c3=S)n2)c1=S
2 meas.
MOL
3D
#6648
Os(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.Cn1ccn(Cc2cccc(Cn3ccn(C)c3=S)n2)c1=S
2 meas.
MOL
3D
#6647
Os(2)
donors: {"N": 4}
CCn1ccn(Cn2ccn(CC)c2=S)c1=S.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#6646
Os(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cn1ccn(Cn2ccn(C)c2=S)c1=S.[Cl-]
2 meas.
MOL
3D
#6645
Os(2)
donors: {"N": 4}
CCCn1ccn(CCn2ccn(CCC)c2=S)c1=S.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#6644
Os(4)
donors: {"N": 4}
[Cl-].[Cl-].[Cl-].[Cl-].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
3 meas.
MOL
3D
#6643
Os(4)
donors: {"N": 4}
[Cl-].[Cl-].[Cl-].[Cl-].c1c[nH]cn1.c1c[nH]cn1
3 meas.
MOL
3D
#6642
Os(4)
donors: {"N": 4}
[Cl-].[Cl-].[Cl-].[Cl-].c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
3 meas.
MOL
3D
#6641
Os(4)
donors: {"N": 4}
[Cl-].[Cl-].[Cl-].[Cl-].c1cn[nH]c1.c1cn[nH]c1
3 meas.
MOL
3D
#6640
Os(2)
donors: {"N": 3}
COC(=O)Cn1cc(-c2[c-]cccc2)nn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6639
Os(2)
donors: {"N": 3}
CCCn1cc(-c2[c-]cccc2)nn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6638
Os(2)
donors: {"N": 3}
COc1ccc(Cn2cc(-c3[c-]cccc3)nn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6637
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].[c-]1ccccc1-c1cn(Cc2ccccc2)nn1
3 meas.
MOL
3D
#6636
Os(3)
donors: {"S": 1, "O": 1, "N": 3}
CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].c1nc[nH]n1
2 meas.
MOL
3D
#6635
Os(3)
donors: {"S": 1, "O": 1, "N": 2}
CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].c1c[nH]cn1
2 meas.
MOL
3D
#6634
Os(3)
donors: {"S": 1, "O": 1, "N": 2}
CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].c1ccc2[nH]cnc2c1
2 meas.
MOL
3D
#6633
Os(3)
donors: {"S": 1, "O": 1, "N": 2}
CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].c1cn[nH]c1
2 meas.
MOL
3D
#6632
Os(3)
donors: {"S": 1, "O": 1, "N": 2}
CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].c1ccc2[nH]ncc2c1
2 meas.
MOL
3D
#6631
Os(3)
donors: {"S": 2, "O": 2}
CS(C)=O.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#6630
Os(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.NCCC(=O)[O-].[Cl-]
2 meas.
MOL
3D
#6629
Os(2)
donors: {"N": 1, "O": 1}
CC(C)(N)C(=O)[O-].Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#6628
Os(2)
donors: {"N": 1, "O": 1}
C[C@H](N)C(=O)[O-].Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#6627
Os(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.NCC(=O)[O-].[Cl-]
2 meas.
MOL
3D
#6626
Os(2)
donors: {"N": 2}
O=C([N-]c1ccccc1)c1ccccn1.[Cl-].c1ccc(-c2ccccc2)cc1
3 meas.
MOL
3D
#6625
Os(2)
donors: {"N": 2}
Cc1cc(C)c(NC(=O)c2ccccn2)c(C)c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6624
Os(2)
donors: {"N": 2}
COc1ccc([N-]C(=O)c2ccccn2)c(OC)c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6623
Os(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.O=C([N-]c1ccccc1[N+](=O)[O-])c1ccccn1.[Cl-]
3 meas.
MOL
3D
#6622
Os(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.O=C([N-]c1ccc([N+](=O)[O-])cc1)c1ccccn1.[Cl-]
3 meas.
MOL
3D
#6621
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]c1ccc(F)cc1F)c1ccccn1.[Cl-]
3 meas.
MOL
3D
#6620
Os(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])c1ccccn1.[Cl-]
4 meas.
MOL
3D
#6619
Os(2)
donors: {"O": 1, "N": 1}
O=C([O-])c1ccccn1.[Cl-].c1ccc(-c2ccccc2)cc1
4 meas.
MOL
3D
#6618
Os(2)
donors: {"P": 1, "O": 2}
C1CCC2(CC1)O[C@H]1O[C@H]3[C@H](OP4OC[C@H]3O4)[C@H]1O2.Cc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-]
3 meas.
MOL
3D
#6617
Os(2)
donors: {"P": 1, "O": 2}
CC1(C)O[C@H]2O[C@H]3[C@H](OP4OC[C@H]3O4)[C@H]2O1.Cc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-]
3 meas.
MOL
3D
#6616
Os(2)
donors: {"P": 1}
C1CCC2(CC1)O[C@H]1O[C@H]3[C@H](OP4OC[C@H]3O4)[C@H]1O2.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6615
Os(2)
donors: {"P": 1}
CC1(C)O[C@H]2O[C@H]3[C@H](OP4OC[C@H]3O4)[C@H]2O1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#6614
Os(2)
donors: {"N": 6}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#6613
Os(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
2 meas.
MOL
3D
#6612
Os(2)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[I-].c1ccc(-c2ccccc2)cc1
7 meas.
MOL
3D
#6611
Os(2)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2ccccc2)cc1
7 meas.
MOL
3D
#6610
Os(2)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.[I-]
7 meas.
MOL
3D
#6609
Os(2)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
7 meas.
MOL
3D
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9/142 (7058 total)