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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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#2108
Ru(2)
donors: {"N": 1}
CCCCCCCCCCCCCCCCOc1ccc(OC(=O)c2ccncc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2107
Ru(2)
donors: {"N": 1}
CCCCCCCCCCCCCCOc1ccc(OC(=O)c2ccncc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2106
Ru(2)
donors: {"N": 1}
CCCCCCCCCCCCOc1ccc(OC(=O)c2ccncc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2105
Ru(2)
donors: {"N": 1}
CCCCCCCCCCOc1ccc(OC(=O)c2ccncc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2104
Ru(2)
donors: {"N": 1}
CCCCCCCCOc1ccc(OC(=O)c2ccncc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2103
Ru(2)
donors: {"N": 1}
CCCCCCOc1ccc(OC(=O)c2ccncc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2102
Ru(2)
donors: {"N": 1}
CCCCOc1ccc(OC(=O)c2ccncc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2101
Ru(2)
donors: {"N": 1}
CCOc1ccc(OC(=O)c2ccncc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2100
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=C1c2cccc3cccc(c23)C(=O)N1CCCN(c1ccccn1)c1ccccn1.[Cl-]
2 meas.
MOL
3D
#2099
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=C1c2cccc3cccc(c23)C(=O)N1CCN(c1ccccn1)c1ccccn1.[Cl-]
2 meas.
MOL
3D
#2098
Ru(2)
donors: {"N": 3, "O": 2}
CCCCN1C(=O)c2cccc3c(NCC/N=C/c4cc([N+](=O)[O-])ccc4[O-])ccc(c23)C1=O.Cc1ccc(C(C)C)cc1
2 meas.
MOL
3D
#2097
Ru(2)
donors: {"N": 3, "O": 1}
CCCCN1C(=O)c2cccc3c(NCC/N=C/c4cc(Cl)ccc4[O-])ccc(c23)C1=O.Cc1ccc(C(C)C)cc1
2 meas.
MOL
3D
#2096
Ru(2)
donors: {"N": 3, "O": 1}
CCCCN1C(=O)c2cccc3c(NCC/N=C/c4cc(Br)ccc4[O-])ccc(c23)C1=O.Cc1ccc(C(C)C)cc1
2 meas.
MOL
3D
#2095
Ru(2)
donors: {"N": 2, "O": 2}
CCC/N=C/c1ccccn1.OCCOc1ccccc1.[Cl-]
3 meas.
MOL
3D
#2094
Ru(2)
donors: {"N": 6}
Nc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2093
Ru(2)
donors: {"N": 6}
Nc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#2092
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2091
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#2090
Ru(2)
donors: {"N": 3}
COc1ccc(/N=N/[N-]c2ccc(OC)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#2089
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Ic1ccc(/N=N/[N-]c2ccc(I)cc2)cc1.[Cl-]
6 meas.
MOL
3D
#2088
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.N#Cc1ccc(/N=N/[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1C(F)(F)F.[Cl-]
1 meas.
MOL
3D
#2087
Ru(2)
donors: {"O": 2, "N": 3}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc(/N=N/[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1C(F)(F)F.[Cl-]
1 meas.
MOL
3D
#2086
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.FC(F)(F)c1cc(/N=N/[N-]c2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl.[Cl-]
6 meas.
MOL
3D
#2085
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Fc1ccc(/N=N/[N-]c2ccc(F)c(Cl)c2)cc1Cl.[Cl-]
1 meas.
MOL
3D
#2084
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Fc1ccc(C(F)(F)F)cc1/N=N/[N-]c1cc(C(F)(F)F)ccc1F.[Cl-]
1 meas.
MOL
3D
#2083
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.FC(F)(F)c1cc(Cl)ccc1/N=N/[N-]c1ccc(Cl)cc1C(F)(F)F.[Cl-]
1 meas.
MOL
3D
#2082
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Fc1ccc(/N=N/[N-]c2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1.[Cl-]
6 meas.
MOL
3D
#2081
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Fc1c(/N=N/[N-]c2cccc(C(F)(F)F)c2F)cccc1C(F)(F)F.[Cl-]
1 meas.
MOL
3D
#2080
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(/N=N/[N-]c2ccccc2)cc1
1 meas.
MOL
3D
#2079
Ru(2)
donors: {"O": 1}
Cc1ccc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(C)s2)s1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2078
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C([O-])/C=C/c1cccs1)/C=C/c1cccs1.[Cl-]
4 meas.
MOL
3D
#2077
Ru(2)
donors: {"N": 8}
c1cnc2c(c1)c1n[se]nc1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2076
Ru(2)
donors: {"O": 2, "N": 2, "P": 2}
[C-]#[O+].[H-].[O-]/C(=N\N=C\c1ccco1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2075
Ru(2)
donors: {"O": 2, "N": 2, "P": 2}
[C-]#[O+].[H-].[O-]/C(=N\N=C\c1cccs1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2074
Ru(2)
donors: {"N": 7}
Cc1ccc2nc(-c3cccc(-c4nc5ccc(C)cc5[nH]4)n3)[nH]c2c1.[Cl-].c1cnc2c(c1)ccc1cccnc12
12 meas.
MOL
3D
#2073
Ru(2)
donors: {"P": 1, "O": 2}
C1CCC2(CC1)O[C@H]1O[C@@H]3C4COP(O4)O[C@@H]3[C@H]1O2.OCCOc1ccccc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2072
Ru(2)
donors: {"P": 1}
C1CCC2(CC1)O[C@H]1O[C@@H]3C4COP(O4)O[C@@H]3[C@H]1O2.[Cl-].[Cl-].c1ccc(-c2ccccc2)cc1
3 meas.
MOL
3D
#2071
Ru(2)
donors: {"P": 1}
CC1(C)O[C@H]2O[C@@H]3C4COP(O4)O[C@@H]3[C@H]2O1.[Cl-].[Cl-].c1ccc(-c2ccccc2)cc1
3 meas.
MOL
3D
#2070
Ru(2)
donors: {"P": 1}
C1CCC2(CC1)O[C@H]1O[C@@H]3C4COP(O4)O[C@@H]3[C@H]1O2.Cc1ccccc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2069
Ru(2)
donors: {"P": 1}
CC1(C)O[C@H]2O[C@@H]3C4COP(O4)O[C@@H]3[C@H]2O1.Cc1ccccc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2068
Ru(2)
donors: {"P": 1}
C1CCC2(CC1)O[C@H]1O[C@@H]3C4COP(O4)O[C@@H]3[C@H]1O2.[Cl-].[Cl-].c1ccccc1
3 meas.
MOL
3D
#2067
Ru(2)
donors: {"N": 2, "P": 2}
Cc1nnc([C@@]23OC[C@H]4OC(C)(C)O[C@H]4[C@@H]2OC(C)(C)O3)o1.c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2066
Ru(2)
donors: {"N": 2, "P": 2}
Cc1nnc([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)o1.c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2065
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(OCn1cc(F)c(=O)[nH]c1=O)c1ccncc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2064
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.O=S(CCCP(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-]
5 meas.
MOL
3D
#2063
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.O=S(CCP(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-]
5 meas.
MOL
3D
#2062
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(SCCCP(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2061
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(SCCP(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2060
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(SCP(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2059
Ru(2)
donors: {"N": 6}
COC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
2 meas.
MOL
3D
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