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D-MPNN
Coordination Complexes
7058 complexes in database
7058
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4834
Ru
1295
Ir
339
Rh
337
Os
253
Re
Metal
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#2158
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1.[Cl-]
4 meas.
MOL
3D
#2157
Ru(2)
donors: {"N": 2, "O": 1}
COc1ccc(NC(=S)NC(=O)c2ccco2)c([N+](=O)[O-])c1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2156
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc(NC(=S)NC(=O)c2ccco2)c([N+](=O)[O-])c1.[Cl-]
4 meas.
MOL
3D
#2155
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccco1.[Cl-]
4 meas.
MOL
3D
#2154
Ru(2)
donors: {"N": 2, "O": 1}
Cc1cc(NC(=S)NC(=O)c2ccco2)c([N+](=O)[O-])cc1C.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#2153
Ru(2)
donors: {"O": 1, "N": 2}
Cc1cc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccco2)cc1Cl.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#2152
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1.[Cl-].[Cl-]
4 meas.
MOL
3D
#2151
Ru(2)
donors: {"N": 2, "O": 1}
COc1ccc(NC(=S)NC(=O)c2ccco2)c([N+](=O)[O-])c1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#2150
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc(NC(=S)NC(=O)c2ccco2)c([N+](=O)[O-])c1.[Cl-].[Cl-]
4 meas.
MOL
3D
#2149
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccco1.[Cl-].[Cl-]
4 meas.
MOL
3D
#2148
Ru(2)
donors: {"N": 4}
CN(C)c1ccncc1.Cc1ccc(C(C)C)cc1.O=Cc1c[c-]c(-n2cccn2)cc1
5 meas.
MOL
3D
#2147
Ru(2)
donors: {"N": 3}
CN(C)c1ccncc1.Cc1ccc(C(C)C)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1
5 meas.
MOL
3D
#2146
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=Cc1c[c-]c(-n2cccn2)cc1.c1ccncc1
5 meas.
MOL
3D
#2145
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1.c1ccncc1
5 meas.
MOL
3D
#2144
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=Cc1c[c-]c(-n2cccn2)cc1.[Cl-]
5 meas.
MOL
3D
#2143
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1.[Cl-]
5 meas.
MOL
3D
#2142
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#2141
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
CC(C)/C=C/C1=C([O-])C(=O)c2ccccc2C1=O.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#2140
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#2139
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
CC(C)/C=C/C1=C([O-])C(=O)c2ccccc2C1=O.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#2138
Ru(2)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2ccccc2n1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#2137
Ru(2)
donors: {"N": 2}
C/C(=N\c1c(C(C)C)cccc1C(C)C)c1ccccn1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#2136
Ru(2)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#2135
Ru(2)
donors: {"N": 2}
Cc1cccc(C)c1/N=C/c1ccccn1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#2134
Ru(2)
donors: {"N": 6}
c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nsnc1c1cccnc12
1 meas.
MOL
3D
#2133
Ru(2)
donors: {"N": 8}
c1cnc2c(c1)c1nsnc1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#2132
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nsnc1c1cccnc12
1 meas.
MOL
3D
#2131
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br
4 meas.
MOL
3D
#2130
Ru(2)
donors: {"N": 8}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br
4 meas.
MOL
3D
#2129
Ru(2)
donors: {"N": 3, "O": 2, "P": 2}
CCNC(=S)N/N=C/c1ccccc1[O-].[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2128
Ru(2)
donors: {"N": 3, "S": 1, "O": 1, "P": 2}
CCN/C([S-])=N\N=C\c1ccccc1O.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2127
Ru(2)
donors: {"N": 3, "O": 3, "As": 1}
CSC(/N=C/c1c([O-])ccc2ccccc12)=N/N=C/c1c([O-])ccc2ccccc12.[C-]#[O+].c1ccc([As](c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2126
Ru(2)
donors: {"N": 3, "O": 3, "P": 1}
COc1cccc(/C=N/N=C(\N=C\c2cccc(OC)c2[O-])SC)c1[O-].[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2125
Ru(2)
donors: {"N": 3, "O": 3, "P": 1}
CSC(/N=C/c1cc(Cl)ccc1[O-])=N/N=C/c1cc(Cl)ccc1[O-].[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2124
Ru(2)
donors: {"N": 3, "O": 3, "P": 1}
CSC(/N=C/c1ccccc1[O-])=N/N=C/c1ccccc1[O-].[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2123
Ru(2)
donors: {"N": 6, "P": 1}
Cc1ccc(C(C)C)cc1.Cn1ccnc1P(c1nccn1C)c1nccn1C
4 meas.
MOL
3D
#2122
Ru(2)
donors: {"N": 6, "P": 1}
Cc1ccc(C(C)C)cc1.c1c[nH]c(P(c2ncc[nH]2)c2ncc[nH]2)n1
4 meas.
MOL
3D
#2121
Ru(2)
donors: {"N": 4, "P": 1}
Cc1ccc(C(C)C)cc1.Cn1ccnc1P(c1ccccc1)c1nccn1C.[Cl-]
5 meas.
MOL
3D
#2120
Ru(2)
donors: {"P": 1, "N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(c2ncc[nH]2)c2ncc[nH]2)cc1
5 meas.
MOL
3D
#2119
Ru(2)
donors: {"P": 1, "N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(P(c2ncc[nH]2)c2ncc[nH]2)cc1
5 meas.
MOL
3D
#2118
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.Cn1ccnc1P(c1ccccc1)c1ccccc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#2117
Ru(2)
donors: {"P": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ncc[nH]2)cc1
6 meas.
MOL
3D
#2116
Ru(2)
donors: {"N": 6}
Nc1ccc(/N=N/c2ccc(/N=C/c3ccccn3)cc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
15 meas.
MOL
3D
#2115
Ru(3)
donors: {"N": 4, "O": 2, "S": 1}
COc1cc2[nH+]cnc(Nc3ccc([O-])c4ncccc34)c2cc1OC.CS(C)=O.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#2114
Ru(3)
donors: {"N": 5, "S": 1, "O": 1}
COc1cc2[nH+]cnc(Nc3ccc4nc[nH]c4c3)c2cc1OC.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#2113
Ru(3)
donors: {"N": 5, "S": 1, "O": 1}
COc1cc2[nH+]cnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1ccnc1.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#2112
Ru(3)
donors: {"N": 5, "S": 1, "O": 1}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCCN.CS(C)=O.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#2111
Ru(2)
donors: {"N": 3, "S": 1, "O": 1}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCCN.CS(C)=O.CS(C)=O.[Cl-].[Cl-]
1 meas.
MOL
3D
#2110
Ru(2)
donors: {"N": 6}
CC[N+](CC)(CC)Cc1ccc(-c2ccc(C[N+](CC)(CC)CC)cn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2109
Ru(2)
donors: {"N": 6}
C[N+](C)(C)Cc1ccc(-c2ccc(C[N+](C)(C)C)cn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
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99/142 (7058 total)