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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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#4758
Ru(2)
donors: {"N": 8}
NC(=S)N1N=C(c2ccc(C(F)(F)F)cc2)CC1c1ccc[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4757
Ru(2)
donors: {"N": 8}
NC(=S)N1N=C(c2ccc(C(F)(F)F)cc2)CC1c1ccc[nH]1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#4756
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])OCc1ccncc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#4755
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccc(NN)cc1C.[Cl-].[Cl-]
2 meas.
MOL
3D
#4754
Ru(2)
donors: {"N": 2, "P": 2}
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#4753
Ru(2)
donors: {"N": 2, "O": 1}
N[C@@H](Cc1ccc(O)cc1)C(=O)O.[Cl-].[Cl-].[Cl-].[N]=O
3 meas.
MOL
3D
#4752
Ru(2)
donors: {"N": 2, "O": 1}
C[C@@H](O)[C@H](N)C(=O)O.[Cl-].[Cl-].[Cl-].[N]=O
3 meas.
MOL
3D
#4751
Ru(2)
donors: {"N": 2, "O": 1}
N[C@@H](CO)C(=O)O.[Cl-].[Cl-].[Cl-].[N]=O
3 meas.
MOL
3D
#4750
Ru(2)
donors: {"N": 2, "O": 1}
O=C(O)[C@H]1CCCN1.[Cl-].[Cl-].[Cl-].[N]=O
3 meas.
MOL
3D
#4749
Ru(2)
donors: {"N": 2, "O": 1}
O=C(O)[C@@H]1CCCN1.[Cl-].[Cl-].[Cl-].[N]=O
3 meas.
MOL
3D
#4748
Ru(2)
donors: {"N": 2, "O": 1}
CC(C)[C@H](N)C(=O)O.[Cl-].[Cl-].[Cl-].[N]=O
3 meas.
MOL
3D
#4747
Ru(2)
donors: {"N": 2, "O": 1}
C[C@H](N)C(=O)O.[Cl-].[Cl-].[Cl-].[N]=O
3 meas.
MOL
3D
#4746
Ru(2)
donors: {"N": 2, "O": 1}
NCC(=O)O.[Cl-].[Cl-].[Cl-].[N]=O
3 meas.
MOL
3D
#4745
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(C2=[NH+]CCN2)nc1
6 meas.
MOL
3D
#4744
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NC(=S)Nc1ccnc2cc(Cl)ccc12.[Cl-]
6 meas.
MOL
3D
#4743
Ru(2)
donors: {"N": 3}
COC(=O)c1c(C)nn(-c2ccccn2)c1-c1ccccc1O.[Cl-].c1ccccc1
4 meas.
MOL
3D
#4742
Ru(2)
donors: {"N": 3}
COC(=O)c1c(C)nn(-c2ccccn2)c1-c1ccccc1O.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
4 meas.
MOL
3D
#4741
Ru(2)
donors: {"N": 3}
COC(=O)c1c(C)nn(-c2ccccn2)c1-c1ccccc1O.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#4740
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c[nH]c2c1
2 meas.
MOL
3D
#4739
Ru(2)
donors: {"N": 6}
c1ccc(COc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#4738
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.c1ccc(COc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
1 meas.
MOL
3D
#4737
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(COc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
1 meas.
MOL
3D
#4736
Ru(2)
donors: {"N": 8}
c1ccc(COc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4735
Ru(2)
donors: {"O": 1, "P": 3}
[C-]#[O+].[H-].[H-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#4734
Ru(2)
donors: {"O": 2, "P": 2}
CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[C-]#[O+].[H-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#4733
Ru(2)
donors: {"O": 2, "P": 2}
CCCCCCCCCC(O)CCCCCCCC(=O)[O-].[C-]#[O+].[H-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#4732
Ru(2)
donors: {"O": 2, "P": 2}
CCCCCCCCCCCC(O)CCCCCC(=O)[O-].[C-]#[O+].[H-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#4731
Ru(2)
donors: {"N": 7}
C/C(=N\NC(N)=S)c1cc2ccccc2oc1=O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4730
Ru(2)
donors: {"N": 7}
C/C(=N\NC(N)=S)c1cc2ccccc2oc1=O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#4729
Ru(2)
donors: {"N": 6}
NNC(=S)N/N=C/c1ccc[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4728
Ru(2)
donors: {"N": 6}
NNC(=S)N/N=C/c1ccc[nH]1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#4727
Ru(2)
donors: {"N": 7}
C/C(=N\NC(=O)c1ccncc1)c1cc2ccccc2oc1=O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4726
Ru(2)
donors: {"N": 7}
C/C(=N\NC(=O)c1ccncc1)c1cc2ccccc2oc1=O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#4725
Ru(2)
donors: {"N": 6}
C=Nc1c(C)c2nc[nH]c2c2cccnc12.C=Nc1c(C)c2nc[nH]c2c2cccnc12.Nc1nc(N)c2nc3c4cccnc4c4ncccc4c3nc2n1
4 meas.
MOL
3D
#4724
Ru(2)
donors: {"N": 1, "P": 1, "O": 2}
Cc1ccc(C(C)C)cc1.O=C(NCCO)c1ccc(P(c2ccccc2)c2ccccc2)cc1.O=C([O-])C(=O)[O-]
3 meas.
MOL
3D
#4723
Ru(2)
donors: {"N": 1, "P": 1, "O": 2}
Cc1ccc(C(C)C)cc1.O=C(NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(P(c2ccccc2)c2ccccc2)cc1.O=C([O-])C(=O)[O-]
3 meas.
MOL
3D
#4722
Ru(2)
donors: {"N": 1, "P": 1, "O": 2}
CC(=O)OC[C@H]1O[C@@H](OCCNC(=O)c2ccc(P(c3ccccc3)c3ccccc3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.Cc1ccc(C(C)C)cc...
3 meas.
MOL
3D
#4721
Ru(2)
donors: {"O": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-].O[C@H]1[C@H](O)[C@@H](COCc2ccccc2)O[C@H](Cc2ccccc2P(c2ccccc2)c2ccccc2)[C@H]1O
3 meas.
MOL
3D
#4720
Ru(2)
donors: {"O": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-].O[C@H]1[C@@H](O)[C@H](Cc2ccccc2P(c2ccccc2)c2ccccc2)O[C@H](COCc2ccccc2)[C@@H]1O
3 meas.
MOL
3D
#4719
Ru(2)
donors: {"O": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-].O[C@H]1C=C[C@@H](Cc2ccccc2P(c2ccccc2)c2ccccc2)O[C@@H]1COCc1ccccc1
3 meas.
MOL
3D
#4718
Ru(2)
donors: {"O": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-].O[C@@H]1C=C[C@H](Cc2ccccc2P(c2ccccc2)c2ccccc2)O[C@@H]1COCc1ccccc1
3 meas.
MOL
3D
#4717
Ru(2)
donors: {"N": 4}
S=C(N/N=C\c1ccc(N(c2ccc(-c3ccsc3)cc2)c2ccc(-c3ccsc3)cc2)cc1)NC1CCCCC1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#4716
Ru(2)
donors: {"N": 4}
S=C(N/N=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)NC1CCCCC1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#4715
Ru(2)
donors: {"N": 4}
S=C(N/N=C\c1ccc(N(c2ccc(-c3ccsc3)cc2)c2ccc(-c3ccsc3)cc2)cc1)N1CCCC1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#4714
Ru(2)
donors: {"N": 4}
S=C(N/N=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)N1CCCC1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#4713
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.S=C(N/N=C\c1ccc(N(c2ccc(-c3ccsc3)cc2)c2ccc(-c3ccsc3)cc2)cc1)NC1CCCCC1.[Cl-]
2 meas.
MOL
3D
#4712
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.S=C(N/N=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)NC1CCCCC1.[Cl-]
3 meas.
MOL
3D
#4711
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.S=C(N/N=C\c1ccc(N(c2ccc(-c3ccsc3)cc2)c2ccc(-c3ccsc3)cc2)cc1)N1CCCC1.[Cl-]
2 meas.
MOL
3D
#4710
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.S=C(N/N=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)N1CCCC1.[Cl-]
3 meas.
MOL
3D
#4709
Ru(2)
donors: {"N": 3}
CCn1c2ccccc2c2cc(/N=C/c3ccccn3)ccc21.[Cl-].c1ccccc1
1 meas.
MOL
3D
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