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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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#4608
Ru(2)
donors: {"S": 3, "N": 3}
C1CSCCSCCS1.NCCN.c1ccncc1
1 meas.
MOL
3D
#4607
Ru(2)
donors: {"S": 3, "O": 1, "N": 2}
C1CSCCSCCS1.O=C([O-])c1ccccn1.c1ccncc1
1 meas.
MOL
3D
#4606
Ru(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
#4605
Ru(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
#4604
Ru(2)
donors: {"O": 1, "N": 4, "P": 2}
[O-]C(=NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1ccco1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)c...
3 meas.
MOL
3D
#4603
Ru(2)
donors: {"O": 1, "N": 4, "P": 2}
[O-]C(=NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)...
3 meas.
MOL
3D
#4602
Ru(2)
donors: {"O": 1, "N": 4, "P": 2}
[O-]C(=NC(=S)N(c1ccccc1)c1ccccc1)c1ccco1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#4601
Ru(2)
donors: {"O": 1, "N": 4, "P": 2}
[O-]C(=NC(=S)N(c1ccccc1)c1ccccc1)c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc...
3 meas.
MOL
3D
#4600
Ru(2)
donors: {"N": 4, "P": 2}
CCN(CC)c1ccc2cc(C(C)=NNC(N)=O)c(=O)oc2c1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4599
Ru(2)
donors: {"N": 3, "P": 2}
COc1cccc2cc(C(C)=NNC(N)=O)c(=O)oc12.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4598
Ru(2)
donors: {"N": 3, "P": 2}
COc1ccc2cc(C(C)=NNC(N)=O)c(=O)oc2c1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4597
Ru(2)
donors: {"N": 3, "P": 2}
CC(=NNC(N)=O)c1cc2ccccc2oc1=O.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4596
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1cccc2ccc(C=Cc3ccc(I)cc3)nc12
6 meas.
MOL
3D
#4595
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1cccc2ccc(C=Cc3ccc(Br)cc3)nc12
6 meas.
MOL
3D
#4594
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1cccc2ccc(C=Cc3ccc(Cl)cc3)nc12
6 meas.
MOL
3D
#4593
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1cccc2ccc(C=Cc3ccc(F)cc3)nc12
6 meas.
MOL
3D
#4592
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
CN(C)C(=S)N=C([O-])c1cccs1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#4591
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
CN(C)C(=S)N=C([O-])c1ccco1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#4590
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
CN(C)C(=S)N=C([O-])c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#4589
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(O)c1ccc(N=Cc2ccccn2)cc1.[Cl-]
4 meas.
MOL
3D
#4588
Ru(2)
donors: {"N": 2}
COC(=O)CNCc1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#4587
Ru(2)
donors: {"N": 2}
CCOC(=O)c1ccc(Nc2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4586
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(O)c1ccc(Nc2ccccn2)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4585
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Nc1ccc(C(=O)O)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4584
Ru(2)
donors: {"N": 6}
c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2c(c1)[nH]c1cnccc12.c1ccc2c(c1)[nH]c1cnccc12.c1ccc2c(c1)[nH]c1cnccc12
10 meas.
MOL
3D
#4583
Ru(2)
donors: {"P": 1, "S": 1, "N": 1}
COc1ccc(P(=S)([S-])N2CCOCC2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#4582
Ru(2)
donors: {"P": 1, "S": 1, "N": 3}
COc1ccc(P(=S)([S-])N2CCOCC2)cc1.Cc1ccc(C(C)C)cc1.NCCN
3 meas.
MOL
3D
#4581
Ru(2)
donors: {"P": 1}
C1=CCc2ccccc2C1.[Cl-].c1ccc(SCCCP(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#4580
Ru(2)
donors: {"P": 1}
[Cl-].c1ccc(SCCCP(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)CCCC2
5 meas.
MOL
3D
#4579
Ru(2)
donors: {"P": 1}
[Cl-].c1ccc(SCCCP(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)CCC2
5 meas.
MOL
3D
#4578
Ru(2)
donors: {"P": 1}
Cc1cc(C)cc(C)c1.[Cl-].c1ccc(SCCCP(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#4577
Ru(2)
donors: {"P": 1}
[Cl-].c1ccc(SCCCP(c2ccccc2)c2ccccc2)cc1.c1ccccc1
5 meas.
MOL
3D
#4576
Ru(2)
donors: {"P": 1}
[Cl-].[Cl-].c1ccc(SCCCP(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)CCCC2
5 meas.
MOL
3D
#4575
Ru(2)
donors: {"P": 1}
[Cl-].[Cl-].c1ccc(SCCCP(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)CCC2
5 meas.
MOL
3D
#4574
Ru(2)
donors: {"P": 1}
[Cl-].[Cl-].c1ccc(SCCCP(c2ccccc2)c2ccccc2)cc1.c1ccccc1
5 meas.
MOL
3D
#4573
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.Cc1cn([C@@H]2O[C@@H]3C4COP(O4)O[C@@H]3[C@H]2O)c(=O)[nH]c1=O.[I-].[I-]
4 meas.
MOL
3D
#4572
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=c1[nH]c(=O)n([C@@H]2O[C@@H]3C4COP(O4)O[C@@H]3[C@H]2O)cc1F.[I-].[I-]
4 meas.
MOL
3D
#4571
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=c1ccn([C@@H]2O[C@@H]3C4COP(O4)O[C@@H]3[C@H]2O)c(=O)[nH]1.[I-].[I-]
4 meas.
MOL
3D
#4570
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.Cc1cn([C@@H]2O[C@@H]3C4COP(O4)O[C@@H]3[C@H]2O)c(=O)[nH]c1=O.[Br-].[Br-]
4 meas.
MOL
3D
#4569
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=c1[nH]c(=O)n([C@@H]2O[C@@H]3C4COP(O4)O[C@@H]3[C@H]2O)cc1F.[Br-].[Br-]
4 meas.
MOL
3D
#4568
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=c1ccn([C@@H]2O[C@@H]3C4COP(O4)O[C@@H]3[C@H]2O)c(=O)[nH]1.[Br-].[Br-]
4 meas.
MOL
3D
#4567
Ru(2)
donors: {"N": 6}
COc1ccc2occ(/C=N\NC(N)=S)c(=O)c2c1.COc1ccc2occ(/C=N\NC(N)=S)c(=O)c2c1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4566
Ru(2)
donors: {"N": 6}
NC(=S)N/N=C\c1coc2ccc(Cl)cc2c1=O.NC(=S)N/N=C\c1coc2ccc(Cl)cc2c1=O.[Cl-].[Cl-]
2 meas.
MOL
3D
#4565
Ru(2)
donors: {"O": 1, "N": 4}
CC(=O)/C=C(/C)[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#4564
Ru(2)
donors: {"O": 2, "N": 4}
O=C([O-])CC(=O)[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
8 meas.
MOL
3D
#4563
Ru(2)
donors: {"O": 2, "N": 4}
O=C([O-])C(=O)[O-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
3 meas.
MOL
3D
#4562
Ru(2)
donors: {"O": 1, "N": 4}
CC(=O)/C=C(/C)[O-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
3 meas.
MOL
3D
#4561
Ru(2)
donors: {"O": 2, "N": 4}
O=C([O-])CC(=O)[O-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
3 meas.
MOL
3D
#4560
Ru(2)
donors: {"N": 6}
NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
5 meas.
MOL
3D
#4559
Ru(2)
donors: {"N": 2, "O": 1}
C1COCCN1.Cc1ccc(C(C)C)cc1.O=C1C(=C([O-])NCc2ccccc2)C(=O)c2ccccc21
4 meas.
MOL
3D
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50/142 (7058 total)