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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
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Rh
Ru
Ox. State
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Donor atoms
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#2208
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
CSCCC(N)C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
9 meas.
MOL
3D
#2207
Ru(2)
donors: {"N": 2, "O": 1}
CC#N.Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc(-[n+]2[c-]n3ccccc3c2)cc1.[Cl-]
4 meas.
MOL
3D
#2206
Ru(2)
donors: {"O": 1}
COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#2205
Ru(2)
donors: {"N": 2}
COc1ccc2cc([C@H](C)C(=O)Nc3ccncc3)ccc2c1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2204
Ru(2)
donors: {"N": 4, "O": 2}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.O=C([O-])c1ccccc1[O-]
5 meas.
MOL
3D
#2203
Ru(2)
donors: {"O": 2, "N": 4}
O=C([O-])c1ccccc1[O-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
5 meas.
MOL
3D
#2202
Ru(2)
donors: {"N": 4}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.[Cl-].[Cl-]
4 meas.
MOL
3D
#2201
Ru(2)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.[Cl-].c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#2200
Ru(2)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.[Cl-].[Cl-].c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#2199
Ru(2)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.[Cl-].c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#2198
Ru(2)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.[Cl-].[Cl-].c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#2197
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
Cc1c[nH]c(=O)nc1[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2196
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
Cc1c[nH]c(=O)nc1[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
40 meas.
MOL
3D
#2195
Ru(2)
donors: {"N": 3, "P": 1}
[Cl-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(Nc2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2194
Ru(2)
donors: {"N": 3, "P": 1}
[Cl-].c1ccc(Nc2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#2193
Ru(2)
donors: {"N": 3, "P": 1}
Cc1ccc(-c2ccc(C)cn2)nc1.[Cl-].c1ccc(Nc2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2192
Ru(2)
donors: {"N": 3, "P": 1}
[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(Nc2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2191
Ru(2)
donors: {"N": 3, "P": 1}
NCCN.[Cl-].c1ccc(Nc2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2190
Ru(2)
donors: {"N": 2, "P": 1}
[Cl-].c1ccc(Nc2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2189
Ru(2)
donors: {"N": 6}
NC(=[NH2+])Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#2188
Ru(2)
donors: {"N": 6}
NC(=[NH2+])Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#2187
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc(Cn2[c-][n+](Cc3cc(C)cc(C)c3)c3cc(C)c(C)cc32)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2186
Ru(2)
donors: {"N": 1}
Cc1cc(C)cc(C[n+]2[c-]n(Cc3ccc(C(C)(C)C)cc3)c3cc(C)c(C)cc32)c1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2185
Ru(2)
donors: {"N": 1}
Cc1cc(C)cc(C[n+]2[c-]n(Cc3c(C)c(C)cc(C)c3C)c3cc(C)c(C)cc32)c1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2184
Ru(2)
donors: {"N": 1}
Cc1cc2c(cc1C)[n+](Cc1ccc(C(C)(C)C)cc1)[c-]n2Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2183
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc(Cn2[c-][n+](Cc3ccc(C)cc3)c3cc(C)c(C)cc32)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2182
Ru(2)
donors: {"N": 1}
Cc1cc(C)cc(Cn2[c-][n+](Cc3cc(C)cc(C)c3)c3cc(C)c(C)cc32)c1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2181
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.S=C(N/N=C/c1c[nH]c2ccccc12)Nc1ccccc1.[Cl-]
1 meas.
MOL
3D
#2180
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.S=C(N/N=C/c1c[nH]c2ccccc12)NC1CCCCC1.[Cl-]
1 meas.
MOL
3D
#2179
Ru(2)
donors: {"N": 4}
CCNC(=S)N/N=C/c1c[nH]c2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#2178
Ru(2)
donors: {"N": 4, "S": 2, "P": 2}
Cc1cc(=O)[nH]c([S-])n1.Cc1cc(=O)[nH]c([S-])n1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
14 meas.
MOL
3D
#2177
Ru(2)
donors: {"N": 4, "S": 2, "P": 2}
O=c1ccnc([S-])[nH]1.O=c1ccnc([S-])[nH]1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2176
Ru(2)
donors: {"N": 4, "S": 2, "P": 2}
Cc1cc(=O)[nH]c([S-])n1.Cc1cc(=O)[nH]c([S-])n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
14 meas.
MOL
3D
#2175
Ru(2)
donors: {"N": 4, "S": 2, "P": 2}
O=c1ccnc([S-])[nH]1.O=c1ccnc([S-])[nH]1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2174
Ru(2)
donors: {"N": 8}
O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.c1csc(-c2ccc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)s3...
3 meas.
MOL
3D
#2173
Ru(2)
donors: {"N": 8}
C(=N/Cc1ccccc1)\c1ccnc(-c2cc(/C=N/Cc3ccccc3)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
8 meas.
MOL
3D
#2172
Ru(2)
donors: {"N": 6}
O=Cc1ccnc(-c2cc(C=O)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
8 meas.
MOL
3D
#2171
Ru(2)
donors: {"N": 4, "P": 2}
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#2170
Ru(2)
donors: {"N": 4, "P": 2}
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#2169
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.NC(=O)C1=C([O-])c2ccccc2S(=O)(=O)N1Cc1ccccc1.[Cl-]
3 meas.
MOL
3D
#2168
Ru(2)
donors: {"N": 2, "O": 1}
COC(=O)CN1C(C(N)=O)=C([O-])c2ccccc2S1(=O)=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2167
Ru(2)
donors: {"N": 2, "O": 1}
CCCCN1C(C(N)=O)=C([O-])c2ccccc2S1(=O)=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2166
Ru(2)
donors: {"N": 2, "O": 1}
CCCN1C(C(N)=O)=C([O-])c2ccccc2S1(=O)=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2165
Ru(2)
donors: {"N": 2, "O": 1}
CCN1C(C(N)=O)=C([O-])c2ccccc2S1(=O)=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2164
Ru(2)
donors: {"N": 2, "O": 1}
CN1C(C(N)=O)=C([O-])c2ccccc2S1(=O)=O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2163
Ru(2)
donors: {"O": 1, "N": 3, "P": 2}
O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2162
Ru(2)
donors: {"O": 1, "N": 3, "P": 2}
O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2161
Ru(2)
donors: {"O": 1, "N": 3, "P": 2}
O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#2160
Ru(2)
donors: {"N": 2, "O": 1}
Cc1cc(NC(=S)NC(=O)c2ccco2)c([N+](=O)[O-])cc1C.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2159
Ru(2)
donors: {"O": 1, "N": 2}
Cc1cc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccco2)cc1Cl.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
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98/142 (7058 total)