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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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#258
Ru(2)
donors: {"N": 2}
COC(=O)c1ccnc(-c2cc(C(=O)OC)ccn2)c1.Cc1ccc(C(C)C)cc1.[Cl-]
10 meas.
MOL
3D
#257
Ru(3)
donors: {"N": 6, "O": 1}
CC1(C)S[C@@H]2[C@H](N=C([O-])Cc3ccccc3)C(=O)N2[C@H]1C(=O)OCCOC(=O)c1ccnc(-c2cc(C(=O)OCCOC(=O)[C@@H]3N4C(=O)[C@@H](N=C(O)...
5 meas.
MOL
3D
#256
Ru(3)
donors: {"N": 4, "O": 1}
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)CCCC[C@@H]4SC[C@@H]5N=C([O-])N[C@@H]54)ccn3)c2)c(Cl)c1Cl.Cc...
5 meas.
MOL
3D
#255
Ru(2)
donors: {"N": 2}
C=C(CC)C(=O)c1ccc(OCC(=O)OCCOC(=O)c2ccnc(-c3cc(C(=O)OCCOC(=O)C(C)c4ccc(-c5ccccc5)c(F)c4)ccn3)c2)c(Cl)c1Cl.Cc1ccc(C(C)C)c...
5 meas.
MOL
3D
#254
Ru(3)
donors: {"S": 1, "O": 1, "N": 1}
CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].c1ccncc1
18 meas.
MOL
3D
#253
Ru(3)
donors: {"N": 4}
[Cl-].[Cl-].[Cl-].[Cl-].c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
394 meas.
MOL
3D
#252
Ru(2)
donors: {"N": 6}
Cc1ccc(-c2ccc(C)cn2)nc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
5 meas.
MOL
3D
#251
Ru(2)
donors: {"N": 6}
Cc1ccc(-c2ccc(C)cn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
5 meas.
MOL
3D
#250
Ru(2)
donors: {"N": 8}
Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(-c2ccc(C)cn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
5 meas.
MOL
3D
#249
Ru(2)
donors: {"N": 5, "P": 2}
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#248
Ru(2)
donors: {"N": 6}
c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)ccc1cccnc12
16 meas.
MOL
3D
#247
Ru(2)
donors: {"N": 6}
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2cccnc2c2ncccc12.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#246
Ru(2)
donors: {"N": 6}
O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2cccnc2c2ncccc12.O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2cccnc2...
5 meas.
MOL
3D
#245
Ru(2)
donors: {"P": 1}
CCP(CC)CC.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#244
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
13 meas.
MOL
3D
#243
Ru(2)
donors: {"P": 1, "O": 1}
CCP(CC)CC.Cc1ccc(C(C)C)cc1.O=C1c2ccccc2C(=O)c2c1ccc(O)c2[O-]
5 meas.
MOL
3D
#242
Ru(2)
donors: {"O": 1, "P": 1}
Cc1ccc(C(C)C)cc1.O=C1c2ccccc2C(=O)c2c1ccc(O)c2[O-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#241
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C1c2ccccc2C(=O)c2c1ccc(O)c2[O-].[Cl-]
5 meas.
MOL
3D
#240
Ru(3)
donors: {"S": 1, "O": 1, "N": 2}
CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-].c1c[nH]cn1
31 meas.
MOL
3D
#239
Ru(2)
donors: {"N": 4}
Cc1cc(=O)n2[nH]cnc2n1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#238
Ru(2)
donors: {"N": 4}
CCc1cc(CC)n2ncnc2n1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#237
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1nc2ncnn2c(C)c1C.[Cl-].[Cl-]
3 meas.
MOL
3D
#236
Ru(2)
donors: {"N": 8}
c1c[nH]c(-c2ncc[nH]2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
7 meas.
MOL
3D
#235
Ru(2)
donors: {"N": 8}
c1c[nH]cn1.c1c[nH]cn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
7 meas.
MOL
3D
#234
Ru(2)
donors: {"N": 8}
Cc1cc(C)c2nc3c4cccnc4c4ncccc4c3nc2c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
1 meas.
MOL
3D
#233
Ru(2)
donors: {"N": 8}
Cc1cc(C)c2nc3c4cccnc4c4ncccc4c3nc2c1.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(-c2ccc(C)cn2)nc1
1 meas.
MOL
3D
#232
Ru(2)
donors: {"N": 8}
Cc1cc(C)c2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#231
Ru(2)
donors: {"N": 8}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
8 meas.
MOL
3D
#230
Ru(2)
donors: {"N": 8}
c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
9 meas.
MOL
3D
#229
Ru(2)
donors: {"N": 8}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#228
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
20 meas.
MOL
3D
#227
Ru(2)
donors: {"N": 2, "O": 1}
CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N=Cc1c([O-])ccc2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#226
Ru(2)
donors: {"N": 2, "O": 1}
Cc1cc(CN2CCOCC2)cc(C)c1N=Cc1c([O-])ccc2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#225
Ru(2)
donors: {"N": 2, "O": 1}
COc1cccc(C=Nc2c(C)cc(CN3CCOCC3)cc2C)c1[O-].Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#224
Ru(2)
donors: {"N": 2, "O": 1}
Cc1cc(CN2CCOCC2)cc(C)c1N=Cc1ccccc1[O-].Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#223
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1cccc(C)c1N=Cc1c([O-])ccc2ccccc12.[Cl-]
3 meas.
MOL
3D
#222
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1cccc(C)c1N=Cc1ccccc1[O-].[Cl-]
3 meas.
MOL
3D
#221
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
21 meas.
MOL
3D
#220
Ru(2)
donors: {"N": 6}
c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
2 meas.
MOL
3D
#219
Ru(2)
donors: {"N": 6}
Cc1nc2c3cccnc3c3ncccc3c2nc1C.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
2 meas.
MOL
3D
#218
Ru(2)
donors: {"N": 6}
c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1.c1cnc2c(c1)c1nccnc1c1cccnc12
2 meas.
MOL
3D
#217
Ru(2)
donors: {"N": 8}
Cc1c(C)c2cccnc2c2ncccc12.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
2 meas.
MOL
3D
#216
Ru(2)
donors: {"N": 8}
c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#215
Ru(2)
donors: {"N": 7}
O=C(O)c1ccc(-c2cc(-c3ccccn3)nn2-c2ccccc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)...
1 meas.
MOL
3D
#214
Ru(2)
donors: {"N": 7}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.O=C(O)c1ccc(-c2cc(-c3ccccn3)nn2-c2ccccc2)cc1
1 meas.
MOL
3D
#213
Ru(2)
donors: {"N": 7}
Clc1ccc(-c2cc(-c3ccccn3)nn2-c2ccccc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc...
1 meas.
MOL
3D
#212
Ru(2)
donors: {"N": 7}
Clc1ccc(-c2cc(-c3ccccn3)nn2-c2ccccc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#211
Ru(2)
donors: {"N": 7}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Clc1ccc(-c2cc(-c3ccccn3)nn2-c2ccccc2)cc1
1 meas.
MOL
3D
#210
Ru(2)
donors: {"N": 7}
COc1ccc(-c2cc(-c3ccccn3)nn2-c2ccccc2)cc1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1
1 meas.
MOL
3D
#209
Ru(2)
donors: {"N": 7}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Clc1ccc(C2CC(c3ccccc3)=NN2c2ccccn2)cc1
1 meas.
MOL
3D
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137/142 (7058 total)