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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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#2508
Ru(2)
donors: {"N": 6}
ClCc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2507
Ru(2)
donors: {"N": 6}
OCc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2506
Ru(2)
donors: {"N": 6}
Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2505
Ru(2)
donors: {"N": 6}
CC(=O)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2504
Ru(2)
donors: {"N": 6}
COc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2503
Ru(2)
donors: {"N": 7}
Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2502
Ru(2)
donors: {"O": 1, "P": 1}
COc1cc(/C=C/C(=O)[O-])cc(OC)c1O.Cc1ccc(C(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2501
Ru(2)
donors: {"O": 1, "P": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])/C=C/c1ccc(O)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2500
Ru(2)
donors: {"O": 1, "P": 1}
COc1cc(/C=C/C(=O)[O-])ccc1O.Cc1ccc(C(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2499
Ru(2)
donors: {"O": 1}
COc1cc(/C=C/C(=O)[O-])cc(OC)c1O.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#2498
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])/C=C/c1ccc(O)cc1.[Cl-]
5 meas.
MOL
3D
#2497
Ru(2)
donors: {"O": 1}
COc1cc(/C=C/C(=O)[O-])ccc1O.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#2496
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.NNc1cccc(Cl)c1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2495
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.NNc1cccc([N+](=O)[O-])c1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2494
Ru(2)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.NS(=O)(=O)c1ccc(Br)cc1
4 meas.
MOL
3D
#2493
Ru(2)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.NS(=O)(=O)c1ccc(Cl)cc1
4 meas.
MOL
3D
#2492
Ru(2)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.NS(=O)(=O)c1ccc(F)cc1
4 meas.
MOL
3D
#2491
Ru(2)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.NS(=O)(=O)c1ccc2ccccc2c1
4 meas.
MOL
3D
#2490
Ru(2)
donors: {"N": 1}
CCOC(=O)c1ccc(S(N)(=O)=O)cc1.Cc1c(C)c(C)[c-](C)c1C
4 meas.
MOL
3D
#2489
Ru(2)
donors: {"N": 1}
COc1ccc(S(N)(=O)=O)cc1.Cc1c(C)c(C)[c-](C)c1C
4 meas.
MOL
3D
#2488
Ru(2)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(S(N)(=O)=O)cc1
4 meas.
MOL
3D
#2487
Ru(2)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.NS(=O)(=O)c1ccccc1
4 meas.
MOL
3D
#2486
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nc3c4cccc5ccc6cccc(c3nc1c1cccnc12)c6c54
4 meas.
MOL
3D
#2485
Ru(2)
donors: {"N": 8}
CC[N+](CC)(CC)Cc1ccc(-c2ccc(C[N+](CC)(CC)CC)cn2)nc1.CC[N+](CC)(CC)Cc1ccc(-c2ccc(C[N+](CC)(CC)CC)cn2)nc1.c1ccc2nc3c4cccnc...
4 meas.
MOL
3D
#2484
Ru(2)
donors: {"N": 8}
CC[N+](CC)(CC)Cc1ccc(-c2ccc(C[N+](CC)(CC)CC)cn2)nc1.CC[N+](CC)(CC)Cc1ccc(-c2ccc(C[N+](CC)(CC)CC)cn2)nc1.c1cnc2c(c1)c1nc3...
4 meas.
MOL
3D
#2483
Ru(2)
donors: {"N": 3}
Cc1c(C)c(C)c(C)c(C)c1C.Nc1ccccc1-c1nc2ccccc2[nH]1.[Cl-]
1 meas.
MOL
3D
#2482
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Nc1ccccc1-c1nc2ccccc2[nH]1.[Cl-]
1 meas.
MOL
3D
#2481
Ru(2)
donors: {"N": 3}
Nc1ccccc1-c1nc2ccccc2[nH]1.[Cl-].c1ccccc1
1 meas.
MOL
3D
#2480
Ru(2)
donors: {"N": 7}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(C[n+]2ccn(Cc3ccc(-c4ccccn4)nc3)c2)cc1
1 meas.
MOL
3D
#2479
Ru(2)
donors: {"N": 7}
CCCC[n+]1ccn(Cc2ccc(-c3ccccn3)nc2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#2478
Ru(2)
donors: {"N": 7}
C[n+]1ccn(Cc2ccc(-c3ccccn3)nc2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#2477
Ru(2)
donors: {"N": 1}
C1CCNCC1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#2476
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cn1ccnc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#2475
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\C(=S)N(Cc1ccccc1)Cc1ccccc1)c1cccs1
3 meas.
MOL
3D
#2474
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\C(=S)N(c1ccccc1)c1ccccc1)c1cccs1
3 meas.
MOL
3D
#2473
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NCc1ccco1)c1ccccc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2472
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NCc1ccc2c(c1)OCO2)c1ccco1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2471
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NCc1ccc2c(c1)OCO2)c1cccs1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2470
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NCc1ccco1)c1cccs1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2469
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NCc1ccco1)c1ccco1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2468
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NCc1cccs1)c1cccs1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2467
Ru(2)
donors: {"N": 2}
COC(=O)c1ccc2c(c1)nc(-c1[c-]cccc1)n2Cc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2466
Ru(2)
donors: {"N": 2}
COC(=O)c1ccc2c(c1)nc(-c1[c-]cccc1)n2C.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2465
Ru(2)
donors: {"N": 2}
CCCCn1c(-c2[c-]cccc2)nc2cc(C(=O)OC)ccc21.Cc1ccc(C(C)C)cc1.[Cl-]
15 meas.
MOL
3D
#2464
Ru(2)
donors: {"N": 3, "O": 2}
Cc1ccc(C(C)C)cc1.O=C(O)CCC(=O)NCCCn1ccnc1.O=C([O-])C(=O)[O-]
4 meas.
MOL
3D
#2463
Ru(2)
donors: {"N": 6}
Cc1ccc(C(C)C)cc1.Nc1nc(N)nc(-c2ccccn2)n1.O
4 meas.
MOL
3D
#2462
Ru(2)
donors: {"N": 6}
Cc1ccc(C(C)C)cc1.Nc1nc(N)nc(-c2ccccn2)n1.[Cl-]
1 meas.
MOL
3D
#2461
Ru(2)
donors: {"O": 1, "N": 3}
COc1ccc(/C([O-])=N/N=C\c2ccc(N(C)C)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2460
Ru(2)
donors: {"N": 3, "O": 1}
CN(C)c1ccc(/C=N\N=C(/[O-])c2ccc(Cl)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2459
Ru(2)
donors: {"N": 3, "O": 1}
CN(C)c1ccc(/C=N\N=C(/[O-])c2ccccc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
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92/142 (7058 total)