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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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Ox. State
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#308
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.O=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccn1.[Cl-]
4 meas.
MOL
3D
#307
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
CC(=O)Oc1cc(C(=O)[O-])cc(OC(C)=O)c1OC(C)=O.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#306
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
O=C([O-])c1cc(O)c(O)c(O)c1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#305
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
O=C([O-])c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#304
Ru(2)
donors: {"N": 3, "S": 1, "P": 2}
CC(=N)C(C)=NN=C([S-])SCc1ccc(Cl)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#303
Ru(2)
donors: {"N": 3, "S": 1, "P": 2}
CC(=N)C(C)=NN=C([S-])SCc1ccc(C)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#302
Ru(2)
donors: {"N": 3, "S": 1, "P": 2}
CC(=N)C(C)=NN=C([S-])SCc1ccccc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#301
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1ccc2ccccc2c1C=Nc1cnc2ccccc2c1
2 meas.
MOL
3D
#300
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1ccccc1C=Nc1cnc2ccccc2c1
2 meas.
MOL
3D
#299
Ru(2)
donors: {"O": 2, "N": 1, "P": 1}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1ccccc1.OCCCCc1ccccc1.[Cl-]
3 meas.
MOL
3D
#298
Ru(2)
donors: {"O": 1, "N": 1, "P": 1}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1ccccc1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#297
Ru(2)
donors: {"O": 1, "N": 1, "P": 1}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#296
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12
21 meas.
MOL
3D
#295
Ru(2)
donors: {"N": 6}
O=C(Nc1cc2cccnc2c2ncccc12)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#294
Ru(2)
donors: {"N": 6}
O=C(Nc1cc2cccnc2c2ncccc12)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c...
5 meas.
MOL
3D
#293
Ru(2)
donors: {"N": 8}
[Cl-].[Cl-].c1c[nH]c(-c2ncc[nH]2)n1.c1c[nH]c(-c2ncc[nH]2)n1
16 meas.
MOL
3D
#292
Ru(2)
donors: {"O": 1}
CCCCOc1ccc(C([O-])=CC(=S)SC)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#291
Ru(2)
donors: {"O": 1}
CCCCOc1cccc(C([O-])=CC(=S)SC)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#290
Ru(2)
donors: {"O": 1}
CCOc1ccccc1C([O-])=CC(=S)SC.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#289
Ru(2)
donors: {"O": 1}
CCOc1ccc(C([O-])=CC(=S)SC)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#288
Ru(2)
donors: {"O": 1}
CCOc1cccc(C([O-])=CC(=S)SC)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#287
Ru(2)
donors: {"O": 1}
CCSC(=S)C=C([O-])c1ccccc1OC.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#286
Ru(2)
donors: {"O": 1}
CCSC(=S)C=C([O-])c1ccc(OC)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#285
Ru(2)
donors: {"O": 1}
CCSC(=S)C=C([O-])c1cccc(OC)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#284
Ru(2)
donors: {"O": 1}
COc1ccccc1C([O-])=CC(=S)SC.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#283
Ru(2)
donors: {"O": 1}
COc1ccc(C([O-])=CC(=S)SC)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#282
Ru(2)
donors: {"O": 1}
COc1cccc(C([O-])=CC(=S)SC)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#281
Ru(2)
donors: {"O": 1}
CCSC(=S)C=C([O-])c1ccc(O)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#280
Ru(2)
donors: {"O": 1}
CCSC(=S)C=C([O-])c1cccc(O)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#279
Ru(2)
donors: {"O": 1}
CSC(=S)C=C([O-])c1ccc(O)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#278
Ru(2)
donors: {"O": 1}
CSC(=S)C=C([O-])c1cccc(O)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#277
Ru(2)
donors: {"O": 1}
CCSC(=S)C=C([O-])c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#276
Ru(2)
donors: {"O": 1}
CSC(=S)C=C([O-])c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#275
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Oc1ccc(N=CC=Nc2ccc(O)cc2)cc1.[Cl-]
1 meas.
MOL
3D
#274
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.OC1CCC(N=CC=NC2CCC(O)CC2)CC1.[Cl-]
2 meas.
MOL
3D
#273
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccc(N=CC=Nc2ccc(C)cc2)cc1.[I-]
3 meas.
MOL
3D
#272
Ru(2)
donors: {"N": 2}
CCCC(CCC)C(=O)Oc1ccc(N=CC=Nc2ccc(OC(=O)C(CCC)CCC)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#271
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccc(N=CC=Nc2ccc(C)cc2)cc1.[Cl-]
3 meas.
MOL
3D
#270
Ru(2)
donors: {"N": 2}
C(C=NC1CCCCC1)=NC1CCCCC1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#269
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
CN(C)C(=S)N=C([O-])c1ccco1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#268
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
CN(C)C(=S)N=C([O-])c1cccs1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#267
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
CN(C)C(=S)N=C([O-])c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#266
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
CN(C)C(=S)N=C([O-])c1ccco1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#265
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
CN(C)C(=S)N=C([O-])c1cccs1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#264
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
CN(C)C(=S)N=C([O-])c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#263
Ru(2)
donors: {"N": 6}
Ic1cc2nc3c4cccnc4c4ncccc4c3nc2cc1I.Ic1cc2nc3c4cccnc4c4ncccc4c3nc2cc1I.Ic1cc2nc3c4cccnc4c4ncccc4c3nc2cc1I
2 meas.
MOL
3D
#262
Ru(2)
donors: {"N": 6}
Brc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Br.Brc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Br.Brc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Br
2 meas.
MOL
3D
#261
Ru(2)
donors: {"N": 6}
Clc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Cl.Clc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Cl.Clc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Cl
2 meas.
MOL
3D
#260
Ru(2)
donors: {"N": 6}
Fc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1F.Fc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1F.Fc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1F
2 meas.
MOL
3D
#259
Ru(2)
donors: {"N": 6}
c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
4 meas.
MOL
3D
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136/142 (7058 total)