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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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Donor atoms
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#2858
Ru(2)
donors: {"N": 2}
CC(C)(C)OC(=O)NCCOC(=O)[c-]1cccc1.CC(C)(C)OC(=O)NCCOC(=O)[c-]1cccc1
6 meas.
MOL
3D
#2857
Ru(2)
donors: {"N": 1}
CC(C)(C)OC(=O)NCCOC(=O)[c-]1cccc1.c1cc[cH-]c1
6 meas.
MOL
3D
#2856
Ru(2)
donors: {"S": 1, "O": 1}
CCCSC(=O)[c-]1cccc1.c1cc[cH-]c1
6 meas.
MOL
3D
#2855
Ru(2)
donors: {"O": 6}
CC1(C)O[C@H]2[C@@H](O1)[C@@H](COC(=O)[c-]1cccc1)O[C@@H]1OC(C)(C)O[C@@H]12.CC1(C)O[C@H]2[C@@H](O1)[C@@H](COC(=O)[c-]1cccc...
6 meas.
MOL
3D
#2854
Ru(2)
donors: {"O": 7}
CC1(C)O[C@H]2[C@@H](O1)[C@@H](COC(=O)[c-]1cccc1)O[C@@H]1OC(C)(C)O[C@@H]12.c1cc[cH-]c1
6 meas.
MOL
3D
#2853
Ru(2)
donors: {"O": 4}
O=C(Oc1ccccc1)[c-]1cccc1.O=C(Oc1ccccc1)[c-]1cccc1
6 meas.
MOL
3D
#2852
Ru(2)
donors: {"O": 2}
O=C(Oc1ccccc1)[c-]1cccc1.c1cc[cH-]c1
6 meas.
MOL
3D
#2851
Ru(2)
donors: {"O": 2, "F": 2}
O=C(F)[c-]1cccc1.O=C(F)[c-]1cccc1
6 meas.
MOL
3D
#2850
Ru(2)
donors: {"O": 1, "F": 1}
O=C(F)[c-]1cccc1.c1cc[cH-]c1
6 meas.
MOL
3D
#2849
Ru(2)
donors: {"O": 4}
CCCOC(=O)[c-]1cccc1.CCCOC(=O)[c-]1cccc1
6 meas.
MOL
3D
#2848
Ru(2)
donors: {"O": 2}
CCCOC(=O)[c-]1cccc1.c1cc[cH-]c1
6 meas.
MOL
3D
#2847
Ru(2)
donors: {"O": 4}
CCOC(=O)[c-]1cccc1.CCOC(=O)[c-]1cccc1
6 meas.
MOL
3D
#2846
Ru(2)
donors: {"O": 2}
CCOC(=O)[c-]1cccc1.c1cc[cH-]c1
6 meas.
MOL
3D
#2845
Ru(2)
donors: {"O": 4}
COC(=O)[c-]1cccc1.COC(=O)[c-]1cccc1
6 meas.
MOL
3D
#2844
Ru(2)
donors: {"O": 2}
COC(=O)[c-]1cccc1.c1cc[cH-]c1
6 meas.
MOL
3D
#2843
Ru(2)
donors: {"O": 4}
O=C(O)[c-]1cccc1.O=C(O)[c-]1cccc1
6 meas.
MOL
3D
#2842
Ru(2)
donors: {"O": 2}
O=C(O)[c-]1cccc1.c1cc[cH-]c1
6 meas.
MOL
3D
#2841
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc(Cn2ccc(=S)c([O-])c2C)cc1.[Cl-]
4 meas.
MOL
3D
#2840
Ru(2)
donors: {"O": 1, "N": 1}
Cc1c([O-])c(=S)ccn1CCc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2839
Ru(2)
donors: {"O": 1, "N": 1}
Cc1c([O-])c(=S)ccn1Cc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2838
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc(Cn2ccc(=O)c([O-])c2C)cc1.[Cl-]
4 meas.
MOL
3D
#2837
Ru(2)
donors: {"O": 1, "N": 1}
Cc1c([O-])c(=O)ccn1CCc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2836
Ru(2)
donors: {"O": 1, "N": 1}
Cc1c([O-])c(=O)ccn1Cc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2835
Ru(2)
donors: {"N": 3, "O": 1}
Cc1ccc(C(C)C)cc1.NC(=S)N/N=C1\CC(S(=O)(=O)[O-])C(=O)c2ccccc21.[Cl-].[Cl-].[Na+]
7 meas.
MOL
3D
#2834
Ru(2)
donors: {"N": 2}
C[NH+]1CCNCC1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#2833
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.O=C([O-])c1nc2cc(Cl)ccc2[nH]1.[I-]
3 meas.
MOL
3D
#2832
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.O=C([O-])c1nc2cc(Cl)ccc2[nH]1.[Br-]
3 meas.
MOL
3D
#2831
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.O=C([O-])c1nc2cc(Cl)ccc2[nH]1.[Cl-]
3 meas.
MOL
3D
#2830
Ru(2)
donors: {"O": 1, "N": 1}
CCOC(=O)/C([O-])=C/C(=O)c1cccc(NC(C)=O)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#2829
Ru(2)
donors: {"O": 1}
CCOC(=O)/C([O-])=C/C(=O)c1cccc(OC)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#2828
Ru(2)
donors: {"O": 1}
CCOC(=O)/C([O-])=C/C(=O)/C=C/c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#2827
Ru(2)
donors: {"O": 1, "N": 3, "P": 2}
O=C([O-])c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2826
Ru(2)
donors: {"N": 2, "O": 1, "P": 1}
CCN(CC)C(=S)/N=C(\[O-])c1cccs1.Cc1ccc(C(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2825
Ru(2)
donors: {"N": 2, "O": 1, "P": 1}
CN(C)C(=S)/N=C(\[O-])c1cccs1.Cc1ccc(C(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2824
Ru(2)
donors: {"N": 2, "O": 1, "P": 1}
CCN(CC)C(=S)/N=C(\[O-])c1ccco1.Cc1ccc(C(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2823
Ru(2)
donors: {"N": 2, "O": 1, "P": 1}
CN(C)C(=S)/N=C(\[O-])c1ccco1.Cc1ccc(C(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2822
Ru(2)
donors: {"N": 2, "O": 1, "P": 1}
CCN(CC)C(=S)/N=C(\[O-])c1ccccc1.Cc1ccc(C(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2821
Ru(2)
donors: {"N": 2, "O": 1, "P": 1}
CN(C)C(=S)/N=C(\[O-])c1ccccc1.Cc1ccc(C(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2820
Ru(2)
donors: {"N": 2, "P": 1}
CCN(CC)C(=S)NC(=O)c1cccs1.Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2819
Ru(2)
donors: {"N": 2, "P": 1}
CN(C)C(=S)NC(=O)c1cccs1.Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2818
Ru(2)
donors: {"N": 2, "P": 1}
CCN(CC)C(=S)NC(=O)c1ccco1.Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2817
Ru(2)
donors: {"N": 2, "P": 1}
CN(C)C(=S)NC(=O)c1ccco1.Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2816
Ru(2)
donors: {"N": 2, "P": 1}
CCN(CC)C(=S)NC(=O)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2815
Ru(2)
donors: {"N": 2, "P": 1}
CN(C)C(=S)NC(=O)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2814
Ru(2)
donors: {"N": 4, "O": 1}
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccncc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#2813
Ru(2)
donors: {"N": 4, "O": 1}
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccncc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2812
Ru(2)
donors: {"N": 7}
O=C(N/N=C\c1ccc(F)cc1)c1ccncc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#2811
Ru(2)
donors: {"N": 7}
O=C(N/N=C\c1ccc(F)cc1)c1ccncc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2810
Ru(2)
donors: {"N": 7}
Cc1ccc(/C=N\NC(=O)c2ccncc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
8 meas.
MOL
3D
#2809
Ru(2)
donors: {"N": 7}
Cc1ccc(/C=N\NC(=O)c2ccncc2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
8 meas.
MOL
3D
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