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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
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Ox. State
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#3608
Ru(2)
donors: {"N": 2, "P": 1}
CCCCCCCCOC(=O)c1ccnc(-c2cc(C(=O)OCCCCCCCC)ccn2)c1.Cc1c(C)c(C)[c-](C)c1C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#3607
Ru(2)
donors: {"N": 1, "P": 1, "O": 1}
Cc1ccc(C(C)C)cc1.O=c1cc(CNP(=O)(Oc2ccccc2)Oc2ccccc2)occ1[O-].[Cl-]
3 meas.
MOL
3D
#3606
Ru(3)
donors: {"S": 3, "N": 3}
S=C([S-])N1CCCC1.S=C([S-])N1CCCC1.S=C([S-])N1CCCC1
7 meas.
MOL
3D
#3605
Ru(3)
donors: {"N": 3, "S": 3}
COC(=O)CN(C)C(=S)[S-].COC(=O)CN(C)C(=S)[S-].COC(=O)CN(C)C(=S)[S-]
10 meas.
MOL
3D
#3604
Ru(3)
donors: {"N": 3, "S": 3}
CCOC(=O)CN(C)C(=S)[S-].CCOC(=O)CN(C)C(=S)[S-].CCOC(=O)CN(C)C(=S)[S-]
10 meas.
MOL
3D
#3603
Ru(3)
donors: {"N": 3, "S": 3}
CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-]
10 meas.
MOL
3D
#3602
Ru(3)
donors: {"N": 3, "S": 3}
CN(CC(=O)OC(C)(C)C)C(=S)[S-].CN(CC(=O)OC(C)(C)C)C(=S)[S-].CN(CC(=O)OC(C)(C)C)C(=S)[S-]
10 meas.
MOL
3D
#3601
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(/N=N/c1ccccc1)[N-]c1ccccc1.[Cl-]
6 meas.
MOL
3D
#3600
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3599
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
N[C@@H](Cc1ccc(O)cc1)C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3598
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
CSCC[C@H](N)C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3597
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
NCCCC[C@H](N)C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3596
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
CC(C)C[C@H](N)C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3595
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
CC(C)[C@H](N)C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3594
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
N[C@@H](CO)C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3593
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
C[C@H](N)C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3592
Ru(2)
donors: {"O": 1, "N": 2}
C/C=C/c1ccc(OC)cc1.NCCN.[I-]
4 meas.
MOL
3D
#3591
Ru(2)
donors: {"O": 1, "N": 2}
C/C=C/c1ccc(OC)cc1.NCCN.[Br-]
4 meas.
MOL
3D
#3590
Ru(2)
donors: {"N": 8}
Cc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1C.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C
3 meas.
MOL
3D
#3589
Ru(2)
donors: {"N": 8}
Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
3 meas.
MOL
3D
#3588
Ru(2)
donors: {"N": 8}
Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.c1cnc2c(c1)c1nccnc1c1cccnc12
3 meas.
MOL
3D
#3587
Ru(2)
donors: {"N": 8}
Cc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.Cc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1C
3 meas.
MOL
3D
#3586
Ru(2)
donors: {"N": 8}
Cc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
3 meas.
MOL
3D
#3585
Ru(2)
donors: {"N": 8}
Cc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.c1cnc2c(c1)c1nccnc1c1cccnc12
3 meas.
MOL
3D
#3584
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Nc1ccc(NC(=S)c2ccccn2)cc1.[Cl-]
4 meas.
MOL
3D
#3583
Ru(2)
donors: {"N": 3}
CN(C)c1ccc(NC(=S)c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#3582
Ru(2)
donors: {"N": 2}
CC(=O)c1ccc(NC(=S)c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#3581
Ru(2)
donors: {"N": 2}
COc1ccc(NC(=S)c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#3580
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccc(NC(=S)c2ccccn2)cc1.[Cl-]
4 meas.
MOL
3D
#3579
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.S=C(Nc1ccc(Br)cc1)c1ccccn1.[Cl-]
4 meas.
MOL
3D
#3578
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.S=C(Nc1ccc(Cl)cc1)c1ccccn1.[Cl-]
4 meas.
MOL
3D
#3577
Ru(2)
donors: {"O": 1, "N": 1, "P": 1}
Cc1c([O-])c(=O)ccn1C.Cc1ccc(C(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#3576
Ru(2)
donors: {"O": 1, "P": 1}
Cc1ccc(C(C)C)cc1.Cc1occc(=O)c1[O-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#3575
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1c([O-])c(=O)ccn1C.Cc1ccc(C(C)C)cc1
4 meas.
MOL
3D
#3574
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.Cc1occc(=O)c1[O-]
4 meas.
MOL
3D
#3573
Ru(3)
donors: {"N": 4}
[Cl-].[Cl-].[Cl-].[Cl-].c1c[nH]cn1.c1c[nH]cn1
2 meas.
MOL
3D
#3572
Ru(3)
donors: {"N": 2}
[Cl-].[Cl-].[Cl-].[Cl-].c1ccncc1.c1ccncc1
2 meas.
MOL
3D
#3571
Ru(3)
donors: {"N": 4}
FC(F)(F)c1cnc[nH]1.FC(F)(F)c1cnc[nH]1.[Cl-].[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#3570
Ru(3)
donors: {"N": 2}
FC(F)(F)c1ccncc1.FC(F)(F)c1ccncc1.[Cl-].[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#3569
Ru(3)
donors: {"N": 4}
FC(F)(F)c1ccc2[nH]ncc2c1.FC(F)(F)c1ccc2[nH]ncc2c1.[Cl-].[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#3568
Ru(3)
donors: {"N": 2, "O": 1}
C/C(=N\CC/N=C(/Cl)c1ccccc1)c1ccc(O)cc1[O-].O.[Cl-].[Cl-]
3 meas.
MOL
3D
#3567
Ru(3)
donors: {"N": 2, "O": 1}
COc1cc(/C=N\CC/N=C(\C)c2ccc(O)cc2[O-])ccc1O.O.[Cl-].[Cl-]
3 meas.
MOL
3D
#3566
Ru(3)
donors: {"N": 3, "O": 1}
C/C(=N/CC/N=C(\C)c1ccc(O)cc1[O-])Nc1ccccc1.O.[Cl-].[Cl-]
3 meas.
MOL
3D
#3565
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.NC(=S)N/N=C/c1c[nH]c2ccccc12.[Cl-]
3 meas.
MOL
3D
#3564
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1ccnc(-c2cc(CNC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]...
5 meas.
MOL
3D
#3563
Ru(2)
donors: {"N": 6}
CCN(CC)CCN.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3562
Ru(2)
donors: {"N": 6}
CN(C)CCN.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3561
Ru(2)
donors: {"N": 6}
NCCN.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3560
Ru(2)
donors: {"N": 4}
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#3559
Ru(2)
donors: {"P": 2}
C=C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
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