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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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#508
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C1C=C([O-])C(=O)c2ccccc21.[Cl-]
3 meas.
MOL
3D
#507
Ru(2)
donors: {"O": 1}
CC1=C(C)C(C)C(C)=C1C.CC1=C([O-])C(=O)c2ccccc2C1=O.[Cl-]
3 meas.
MOL
3D
#506
Ru(2)
donors: {"O": 1}
CC1=C([O-])C(=O)c2ccccc2C1=O.Cc1ccccc1.[Cl-]
3 meas.
MOL
3D
#505
Ru(2)
donors: {"O": 1}
CC1=C([O-])C(=O)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#504
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc2[nH]cnc2c1
4 meas.
MOL
3D
#503
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.O=C([O-])c1nc2ccccc2[nH]1.[Cl-]
6 meas.
MOL
3D
#502
Ru(2)
donors: {"O": 2, "N": 3}
CC1=C([O-])C([O-])(n2ncc3ccc(N)cc32)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#501
Ru(2)
donors: {"O": 2, "N": 3}
CC1=C([O-])C([O-])(n2cc(N)cn2)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#500
Ru(2)
donors: {"O": 2, "N": 2}
CC1=C([O-])C([O-])(n2cc(C)cn2)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#499
Ru(2)
donors: {"O": 2, "N": 2}
CC1=C([O-])C([O-])(n2ncc3ccccc32)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#498
Ru(2)
donors: {"O": 2, "N": 2}
CC1=C([O-])C([O-])(n2cccn2)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1
9 meas.
MOL
3D
#497
Ru(2)
donors: {"N": 3, "O": 2}
Cc1ccc(C(C)C)cc1.O=C1C(CN2CCSCC2)=C([O-])C([O-])(n2cccn2)c2ccccc21
3 meas.
MOL
3D
#496
Ru(2)
donors: {"N": 3, "O": 2}
Cc1ccc(C(C)C)cc1.O=C1C(CN2CCOCC2)=C([O-])C([O-])(n2cccn2)c2ccccc21
3 meas.
MOL
3D
#495
Ru(2)
donors: {"O": 2, "N": 2}
Cc1ccc(C(C)C)cc1.O=C1C(Br)=C([O-])C([O-])(n2cccn2)c2ccccc21
3 meas.
MOL
3D
#494
Ru(2)
donors: {"O": 2, "N": 2}
Cc1ccc(C(C)C)cc1.O=C1C(Cl)=C([O-])C([O-])(n2cccn2)c2ccccc21
3 meas.
MOL
3D
#493
Ru(2)
donors: {"O": 2, "N": 2}
CC(C)=CCC1=C([O-])C([O-])(n2cccn2)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#492
Ru(2)
donors: {"O": 2, "N": 2}
Cc1ccc(C(C)C)cc1.O=C1C(C2CCCCC2)=C([O-])C([O-])(n2cccn2)c2ccccc21
3 meas.
MOL
3D
#491
Ru(2)
donors: {"O": 2, "N": 2}
CCC1=C([O-])C([O-])(n2cccn2)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#490
Ru(2)
donors: {"N": 5}
Fc1c(F)c(F)c(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c(F)c1F.[c-]1ccccc1-c1cccc(-c2ccccn2)n1
4 meas.
MOL
3D
#489
Ru(2)
donors: {"N": 5}
Fc1cc(F)c(F)c(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1F.[c-]1ccccc1-c1cccc(-c2ccccn2)n1
4 meas.
MOL
3D
#488
Ru(2)
donors: {"N": 5}
Fc1cc(F)c(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c(F)c1.[c-]1ccccc1-c1cccc(-c2ccccn2)n1
4 meas.
MOL
3D
#487
Ru(2)
donors: {"N": 5}
Fc1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(F)c1F.[c-]1ccccc1-c1cccc(-c2ccccn2)n1
4 meas.
MOL
3D
#486
Ru(2)
donors: {"N": 5}
Fc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1F.[c-]1ccccc1-c1cccc(-c2ccccn2)n1
4 meas.
MOL
3D
#485
Ru(2)
donors: {"N": 5}
Fc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[c-]1ccccc1-c1cccc(-c2ccccn2)n1
4 meas.
MOL
3D
#484
Ru(2)
donors: {"N": 5}
[c-]1ccccc1-c1cccc(-c2ccccn2)n1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
4 meas.
MOL
3D
#483
Ru(2)
donors: {"N": 6}
COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
10 meas.
MOL
3D
#482
Ru(2)
donors: {"N": 8}
CN(C)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(C)C)cc4)ccn3)c2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
8 meas.
MOL
3D
#481
Ru(2)
donors: {"N": 6}
COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.c1ccc(-c...
8 meas.
MOL
3D
#480
Ru(2)
donors: {"N": 6}
CN(C)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(C)C)cc4)ccn3)c2)cc1.CN(C)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(C)C)cc4)ccn3)c2)...
8 meas.
MOL
3D
#479
Ru(2)
donors: {"N": 6}
COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.COc1ccc(...
9 meas.
MOL
3D
#478
Ru(2)
donors: {"N": 6}
CN(C)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(C)C)cc4)ccn3)c2)cc1.CN(C)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(C)C)cc4)ccn3)c2)...
8 meas.
MOL
3D
#477
Ru(2)
donors: {"N": 6}
C(=C/c1ccnc(-c2cc(/C=C/c3ccccc3)ccn2)c1)\c1ccccc1.C(=C/c1ccnc(-c2cc(/C=C/c3ccccc3)ccn2)c1)\c1ccccc1.C(=C/c1ccnc(-c2cc(/C...
8 meas.
MOL
3D
#476
Ru(2)
donors: {"N": 8}
OC[C@H]1O[C@@H](Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccc(Oc4ccccc4)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.c1ccc(-c2ccnc3c2ccc2...
5 meas.
MOL
3D
#475
Ru(2)
donors: {"N": 8}
OC[C@H]1O[C@@H](Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccccc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4...
5 meas.
MOL
3D
#474
Ru(2)
donors: {"N": 8}
OC[C@H]1O[C@@H](Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc2...
5 meas.
MOL
3D
#473
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]...
6 meas.
MOL
3D
#472
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#471
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1ccccc1C=Nc1ccc(-n2c3ccccc3c3ccccc32)cc1
3 meas.
MOL
3D
#470
Ru(2)
donors: {"N": 3}
C(=Nc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2ccccc2n1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#469
Ru(2)
donors: {"N": 3}
C(=Nc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#468
Ru(2)
donors: {"N": 3}
C(=Nc1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#467
Ru(2)
donors: {"O": 1, "P": 1, "N": 1}
O=S(=O)([O-])c1cccc(P(c2ccccc2)c2ccccc2)c1.[Na+].c1cc[cH-]c1.c1ccc(-c2cc3ccccc3s2)nc1
3 meas.
MOL
3D
#466
Ru(2)
donors: {"N": 2, "O": 1, "P": 1}
O=C(c1ccccn1)c1ccccn1.O=S(=O)([O-])c1cccc(P(c2ccccc2)c2ccccc2)c1.[Na+].c1cc[cH-]c1
3 meas.
MOL
3D
#465
Ru(2)
donors: {"N": 1, "O": 1, "P": 1}
O=C(c1ccccc1)c1ccccn1.O=S(=O)([O-])c1cccc(P(c2ccccc2)c2ccccc2)c1.[Na+].c1cc[cH-]c1
3 meas.
MOL
3D
#464
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].c1cnc2c(c1)ccc1cccnc12
16 meas.
MOL
3D
#463
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=C(NCCN1CCOCC1)c1cc2cccnc2c2ncccc12.[Cl-]
4 meas.
MOL
3D
#462
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.NCCN1CCOCC1.[Cl-]
4 meas.
MOL
3D
#461
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.O=C(CCCC[C@H]1SC[C@H]2N=C(O)N[C@H]21)NCCCCCCOC(=O)c1cc2cccnc2c2ncccc12.[Cl-]
4 meas.
MOL
3D
#460
Ru(2)
donors: {"N": 1}
Brc1ccc(SCCn2[c-][n+](Cc3ccccc3)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#459
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[c-]1n(CCSc2ccccc2)cc[n+]1Cc1ccccc1
3 meas.
MOL
3D
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