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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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#908
Ru(2)
donors: {"N": 2}
CC(=O)OC[C@H]1O[C@@H](/N=C/C=N/[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC...
3 meas.
MOL
3D
#907
Ru(2)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.OC[C@H]1O[C@@H](/N=C/C=N/[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.[Cl-]
3 meas.
MOL
3D
#906
Ru(2)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Fc1ccccc1C/N=C/C=N/Cc1ccccc1F.[Cl-]
3 meas.
MOL
3D
#905
Ru(2)
donors: {"N": 2}
C(/C=N/Cc1ccccc1)=N\Cc1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#904
Ru(2)
donors: {"P": 2}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#903
Ru(2)
donors: {"P": 2}
[Cl-].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccccc1
3 meas.
MOL
3D
#902
Ru(2)
donors: {"P": 1, "N": 1, "O": 1}
CC(C)OP(OC(C)C)OC(C)C.O=C1C=CC(=O)[N-]1.[C-]#[O+].c1cc[cH-]c1
3 meas.
MOL
3D
#901
Ru(2)
donors: {"N": 1, "O": 1, "P": 1}
O=C1C=CC(=O)[N-]1.[C-]#[O+].c1cc[cH-]c1.c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1
3 meas.
MOL
3D
#900
Ru(2)
donors: {"P": 1, "N": 1, "O": 1}
CCOP(OCC)OCC.O=C1C=CC(=O)[N-]1.[C-]#[O+].c1cc[cH-]c1
3 meas.
MOL
3D
#899
Ru(2)
donors: {"N": 1, "O": 1, "P": 1}
O=C1C=CC(=O)[N-]1.[C-]#[O+].c1cc[cH-]c1.c1coc(P(c2ccco2)c2ccco2)c1
3 meas.
MOL
3D
#898
Ru(2)
donors: {"N": 1, "O": 1, "P": 1}
O=C1C=CC(=O)[N-]1.[C-]#[O+].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#897
Ru(2)
donors: {"N": 4, "P": 1, "O": 2}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc([O-])c2ncccc12
2 meas.
MOL
3D
#896
Ru(2)
donors: {"O": 2, "N": 1}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc([O-])c2ncccc12.[Cl-]
3 meas.
MOL
3D
#895
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccc2c(c1)OCO2)C(F)(F)F
4 meas.
MOL
3D
#894
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccc2c(c1)OCO2)C(F)(F)F.[Cl-]
4 meas.
MOL
3D
#893
Ru(2)
donors: {"N": 1, "O": 1}
CN(C)c1ccc(/C([O-])=C/C(=O)C(F)(F)F)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#892
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccc(I)cc1)C(F)(F)F
2 meas.
MOL
3D
#891
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccc(I)cc1)C(F)(F)F.[Cl-]
2 meas.
MOL
3D
#890
Ru(2)
donors: {"N": 6}
Nc1ccnc(-c2[c-]cccc2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
MOL
3D
#889
Ru(2)
donors: {"N": 4, "P": 2}
Cc1ccc(-c2ccc(C)cn2)nc1.NC(=O)c1cccnc1.[Cl-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#888
Ru(2)
donors: {"P": 1, "N": 4}
c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)C(=NN=C1c3cccnc3-c3ncccc31)c1ccccc1-2
2 meas.
MOL
3D
#887
Ru(2)
donors: {"P": 1, "N": 4}
c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)C(=Nc1nccs1)c1cccnc1-2
2 meas.
MOL
3D
#886
Ru(2)
donors: {"N": 3, "P": 1}
ON=C1c2cccnc2-c2ncccc21.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#885
Ru(2)
donors: {"N": 2, "P": 1}
O=C1c2cccnc2-c2ncccc21.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#884
Ru(2)
donors: {"O": 1, "N": 3, "P": 4}
[O-]c1nnc(-c2ccccc2)c(-c2ccccc2)n1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#883
Ru(2)
donors: {"S": 1, "N": 3, "P": 4}
[S-]c1nnc(-c2ccccc2)c(-c2ccccc2)n1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#882
Ru(2)
donors: {"O": 1, "N": 3, "P": 4}
[O-]c1nnc(-c2ccccc2)c(-c2ccccc2)n1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#881
Ru(2)
donors: {"S": 1, "N": 3, "P": 4}
[S-]c1nnc(-c2ccccc2)c(-c2ccccc2)n1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#880
Ru(2)
donors: {"P": 4}
[Cl-].[Cl-].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
13 meas.
MOL
3D
#879
Ru(2)
donors: {"N": 6}
Clc1cnc2c(c1)c1ccccc1c1cc(Cl)cnc12.Clc1cnc2c(c1)c1ccccc1c1cc(Cl)cnc12.Clc1cnc2c(c1)c1ccccc1c1cc(Cl)cnc12
9 meas.
MOL
3D
#878
Ru(2)
donors: {"N": 8}
COc1ccc(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#877
Ru(2)
donors: {"N": 8}
COc1ccc(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#876
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2ccccn2)nc1
19 meas.
MOL
3D
#875
Ru(2)
donors: {"N": 3, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1cnc(-c2ncccn2)[n+]([O-])c1.[Cl-]
4 meas.
MOL
3D
#874
Ru(2)
donors: {"N": 3}
COc1ccc2nc(N)sc2c1.Cc1ccc(C(C)C)cc1.O=Cc1ccccn1.[Cl-]
3 meas.
MOL
3D
#873
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1ccc2nc(N)sc2c1.O=Cc1ccccn1.[Cl-]
3 meas.
MOL
3D
#872
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Nc1nc2ccc(F)cc2s1.O=Cc1ccccn1.[Cl-]
3 meas.
MOL
3D
#871
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Nc1nc2ccc(Br)cc2s1.O=Cc1ccccn1.[Cl-]
3 meas.
MOL
3D
#870
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Nc1nc2ccccc2s1.O=Cc1ccccn1.[Cl-]
3 meas.
MOL
3D
#869
Ru(2)
donors: {"N": 5, "O": 1}
O=C(NC1CCN(c2ccc([N+](=O)[O-])c3nonc23)C1)c1cc2c(cn1)[nH]c1ccccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#868
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)c1nc(-c3ccc(-n4ccc(-c5c...
2 meas.
MOL
3D
#867
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cncc(-c2ccn(-c3ccc(-c4nc5c6cccnc...
2 meas.
MOL
3D
#866
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccn(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc3)n2)nc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2...
2 meas.
MOL
3D
#865
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)c1nc(-c3ccc(-n4ccc(-c5c...
2 meas.
MOL
3D
#864
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
O=C([O-])/C=C/c1ccc(Cl)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#863
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
O=C([O-])/C=C/c1ccc(C(F)(F)F)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
7 meas.
MOL
3D
#862
Ru(2)
donors: {"N": 1, "P": 1}
CC#N.COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#861
Ru(2)
donors: {"P": 1, "N": 1}
COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Cc1ccc(C(C)C)cc1.Cc1ccncc1.[Cl-]
2 meas.
MOL
3D
#860
Ru(2)
donors: {"P": 1, "N": 1}
COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Cc1ccc(C(C)C)cc1.Cc1cccnc1.[Cl-]
2 meas.
MOL
3D
#859
Ru(2)
donors: {"P": 1, "N": 1}
COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C.Cc1ccc(C(C)C)cc1.Cc1cccnc1.[Cl-]
2 meas.
MOL
3D
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124/142 (7058 total)