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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
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Ox. State
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#3658
Ru(3)
donors: {"N": 1, "S": 1, "O": 1}
CCCCCCCCCCCCCC(=O)Oc1ccncc1.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-]
5 meas.
MOL
3D
#3657
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.O=c1cc(-c2ccccc2)oc2cc(OCCCCN3CCCCC3)cc([O-])c12.[Cl-]
5 meas.
MOL
3D
#3656
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1cc(-c2ccccc2)oc2cc(OCCCCBr)cc([O-])c12.[Cl-]
2 meas.
MOL
3D
#3655
Ru(2)
donors: {"O": 1}
CCCCOc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#3654
Ru(2)
donors: {"O": 1}
CCOc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#3653
Ru(2)
donors: {"N": 3}
CC(C)[C@H](N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#3652
Ru(2)
donors: {"N": 3}
CC(C)[C@@H](N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#3651
Ru(2)
donors: {"N": 2}
Cc1ccccc1.Cc1ccnc(-c2cc(C)ccn2)c1.[Cl-]
4 meas.
MOL
3D
#3650
Ru(2)
donors: {"N": 2}
Cc1ccccc1.[Cl-].c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#3649
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccc2ccc3ccc(C)nc3c2n1.[Cl-]
4 meas.
MOL
3D
#3648
Ru(2)
donors: {"N": 2}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccccc1.[Cl-]
4 meas.
MOL
3D
#3647
Ru(2)
donors: {"N": 2}
Cc1ccccc1.[Cl-].c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#3646
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.O=C(O)[C@H]1CCCC[NH+]1Cc1cc(Cl)c2cccnc2c1[O-].[Cl-]
3 meas.
MOL
3D
#3645
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.O=C(O)[C@H]1CCC[NH+]1Cc1cc(Cl)c2cccnc2c1[O-].[Cl-]
3 meas.
MOL
3D
#3644
Ru(2)
donors: {"N": 7}
c1ccc(-c2cnc3ccccc3n2)nc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#3643
Ru(2)
donors: {"N": 7}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2cnc3ccccc3n2)nc1
1 meas.
MOL
3D
#3642
Ru(2)
donors: {"N": 5, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.S=C(Nc1ccc(Cl)cc1)c1ccccn1
4 meas.
MOL
3D
#3641
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.S=C(Nc1ccc(Cl)cc1)c1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#3640
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.S=C(/N=C/C=C/c1ccccc1)Nc1ccccc1.[Cl-]
4 meas.
MOL
3D
#3639
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NS(=O)(=O)c1ccc(/C=N/C(=S)Nc2ccccc2)cc1.[Cl-]
4 meas.
MOL
3D
#3638
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.S=C(/N=C/c1ccccc1)Nc1ccccc1.[Cl-]
4 meas.
MOL
3D
#3637
Ru(3)
donors: {"S": 2, "N": 4}
S=C([S-])N1CCN(Cc2ccccc2)CC1.S=C([S-])N1CCN(Cc2ccccc2)CC1.S=C([S-])N1CCN(Cc2ccccc2)CC1
2 meas.
MOL
3D
#3636
Ru(3)
donors: {"N": 3, "S": 3}
CCN(C(=S)[S-])c1ccccc1.CCN(C(=S)[S-])c1ccccc1.CCN(C(=S)[S-])c1ccccc1
2 meas.
MOL
3D
#3635
Ru(3)
donors: {"S": 3, "N": 3}
S=C([S-])Nc1ccccc1.S=C([S-])Nc1ccccc1.S=C([S-])Nc1ccccc1
2 meas.
MOL
3D
#3634
Ru(3)
donors: {"S": 2, "N": 4}
S=C([S-])N1CCN(c2ccccc2)CC1.S=C([S-])N1CCN(c2ccccc2)CC1.S=C([S-])N1CCN(c2ccccc2)CC1
2 meas.
MOL
3D
#3633
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(N2N=C(c3ccccn3)CC2c2cc3ccc4cccc5ccc(c2)c3c45)cc1
3 meas.
MOL
3D
#3632
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2ccc(C3CC(c4ccccn4)=NN3c3ccccc3)cc2)cc1
3 meas.
MOL
3D
#3631
Ru(2)
donors: {"N": 1}
COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#3630
Ru(3)
donors: {"N": 6}
CCCCc1c(C)nn(-c2cc(C)c3c(n2)nn2c(C)c(CCCC)c(C)nc32)c1C.O.[Cl-].[Cl-].[Cl-]
7 meas.
MOL
3D
#3629
Ru(3)
donors: {"N": 6}
Cc1cc(C)n2nc3nc(-n4nc(C)cc4C)cc(C)c3c2n1.O.[Cl-].[Cl-].[Cl-]
7 meas.
MOL
3D
#3628
Ru(3)
donors: {"N": 6}
Cc1cc(-c2ccccc2)n2nc3nc(-n4nc(C)cc4-c4ccccc4)cc(C)c3c2n1.O.[Cl-].[Cl-].[Cl-]
7 meas.
MOL
3D
#3627
Ru(2)
donors: {"N": 2, "O": 3}
Cc1cc2nc[nH]c2cc1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Cl-]
3 meas.
MOL
3D
#3626
Ru(2)
donors: {"N": 2, "O": 3}
Cn1cnc2ccccc21.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Cl-]
3 meas.
MOL
3D
#3625
Ru(2)
donors: {"N": 3, "P": 2, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.[O-]c1ccccc1P(c1ccccc1)c1ccccc1
1 meas.
MOL
3D
#3624
Ru(3)
donors: {"N": 2, "O": 2, "P": 2}
C/C(=N\N=C(/[O-])c1ccc(C)cc1)c1ccccc1[O-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#3623
Ru(3)
donors: {"O": 1, "N": 2, "P": 2}
Cc1ccc(/C([O-])=N/N=C/c2ccccc2O)cc1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#3622
Ru(2)
donors: {"O": 3, "N": 1}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Cl-].c1cscn1
3 meas.
MOL
3D
#3621
Ru(2)
donors: {"N": 2, "O": 3}
Cn1ccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Cl-]
3 meas.
MOL
3D
#3620
Ru(2)
donors: {"O": 3, "N": 2}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Cl-].c1c[nH]cn1
3 meas.
MOL
3D
#3619
Ru(2)
donors: {"N": 3}
O=C(/N=C(\[N-]c1ccccc1)NCc1ccccc1)c1cccs1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#3618
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1ccc([N-]/C(=N\C(=O)c2ccccc2)NCc2ccccc2)cc1.[Cl-]
3 meas.
MOL
3D
#3617
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(/N=C(\[N-]c1ccccc1)NCc1ccccc1)c1cccs1.[Cl-]
3 meas.
MOL
3D
#3616
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(/N=C(/[N-]c1ccccc1)Nc1ccccc1)c1cccs1.[Cl-]
3 meas.
MOL
3D
#3615
Ru(2)
donors: {"N": 6, "P": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1cn([C@H]2C[C@H](n3cc(-c4ccccn4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#3614
Ru(2)
donors: {"N": 6, "P": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1cn([C@H]2C[C@H](O)[C@@H](Cn3cc(-c4ccccn4)nn3)O2)c(=O)[nH]c1=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#3613
Ru(2)
donors: {"N": 4, "P": 1}
CO[C@H]1O[C@H](Cn2cc(-c3ccccn3)nn2)[C@@H](O)[C@H](O)[C@H]1O.Cc1c(C)c(C)[c-](C)c1C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#3612
Ru(2)
donors: {"N": 4, "P": 1}
CO[C@H]1O[C@H](Cn2cc(-c3ccccn3)nn2)[C@@H](O)[C@H](O)[C@@H]1O.Cc1c(C)c(C)[c-](C)c1C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#3611
Ru(2)
donors: {"N": 2, "P": 1}
Cc1c(C)c(C)[c-](C)c1C.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#3610
Ru(2)
donors: {"P": 1, "N": 2}
Cc1c(C)c(C)[c-](C)c1C.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#3609
Ru(2)
donors: {"P": 1, "N": 2}
Cc1c(C)c(C)[c-](C)c1C.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
1 meas.
MOL
3D
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