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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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#4308
Ru(3)
donors: {"N": 5, "S": 1, "O": 1}
COc1ccccc1CNc1nc[nH+]c2nc[nH]c12.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#4307
Ru(3)
donors: {"S": 1, "O": 1, "N": 5}
CS(C)=O.Clc1cccc(CNc2nc[nH+]c3nc[nH]c23)c1.[Cl-].[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#4306
Ru(3)
donors: {"S": 1, "O": 1, "N": 5}
CS(C)=O.Clc1ccccc1CNc1nc[nH+]c2nc[nH]c12.[Cl-].[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#4305
Ru(2)
donors: {"O": 1, "N": 6}
COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(OCCN3CCOCC3)c(OC)c2)ccc1OCCN1CCOCC1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#4304
Ru(3)
donors: {"N": 2, "O": 2, "S": 2}
Cc1cc(C)[nH]n1.O=S1CCCC1.O=S1CCCC1.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#4303
Ru(3)
donors: {"N": 4, "O": 1, "S": 1}
Cc1cc(C)[nH]n1.Cc1cc(C)[nH]n1.O=S1CCCC1.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#4302
Ru(3)
donors: {"O": 2, "S": 2, "N": 2}
O=S1CCCC1.O=S1CCCC1.[Cl-].[Cl-].[Cl-].c1cn[nH]c1
1 meas.
MOL
3D
#4301
Ru(3)
donors: {"O": 1, "S": 1, "N": 4}
O=S1CCCC1.[Cl-].[Cl-].[Cl-].c1cn[nH]c1.c1cn[nH]c1
1 meas.
MOL
3D
#4300
Ru(3)
donors: {"N": 2, "O": 2}
COc1cccc(/C=N/c2ncccc2[O-])c1[O-].O.O.[Cl-]
3 meas.
MOL
3D
#4299
Ru(3)
donors: {"N": 6}
Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.O.[Cl-]
2 meas.
MOL
3D
#4298
Ru(3)
donors: {"N": 3}
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1.O.O.[Cl-].[Cl-]
2 meas.
MOL
3D
#4297
Ru(2)
donors: {"N": 4}
COc1ccc2nc3cc(Cl)ccc3c(NCC/N=C\c3ccccn3)c2c1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#4296
Ru(3)
donors: {"N": 3, "O": 1}
COc1ccc2nc3cc(Cl)ccc3c(NCC/N=C\c3ccccc3[O-])c2c1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#4295
Ru(2)
donors: {"N": 3}
C=C(C)[C@@H]1CC[C@](C)(NCc2ccccn2)/C(=N\O)C1.Cc1ccc(C(C)C)cc1
1 meas.
MOL
3D
#4294
Ru(2)
donors: {"N": 2}
C=C(C)[C@@H]1CC[C@](C)(NCc2ccccc2)/C(=N\O)C1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#4293
Ru(2)
donors: {"N": 2}
C=C(C)[C@@H]1CC[C@](C)(Nc2ccccc2)/C(=N\O)C1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#4292
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]CCNCc2ccc3ccccc3c2)cc1.[Cl-]
1 meas.
MOL
3D
#4291
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]CCNCc2ccc(F)cc2)cc1.[Cl-]
1 meas.
MOL
3D
#4290
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]CCNCc2ccccc2)cc1.[Cl-]
1 meas.
MOL
3D
#4289
Ru(2)
donors: {"N": 2}
CCNCC[N-]S(=O)(=O)c1ccc(C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#4288
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]CCN(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#4287
Ru(2)
donors: {"N": 2}
CNCC[N-]S(=O)(=O)c1ccc(C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#4286
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1cccc(C)c1/N=C/c1ncc[nH]1.[Cl-]
6 meas.
MOL
3D
#4285
Ru(2)
donors: {"N": 3}
C(=N/c1ccccc1)\c1ncc[nH]1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#4284
Ru(2)
donors: {"S": 3, "N": 4}
C1CSCCSCCS1.Cn1ccnc1.Cn1ccnc1.[Cl-]
2 meas.
MOL
3D
#4283
Ru(2)
donors: {"S": 3, "N": 2}
C1CSCCSCCS1.O=C(O)c1cccnc1-c1ncccc1C(=O)O.[Cl-]
2 meas.
MOL
3D
#4282
Ru(2)
donors: {"S": 3, "N": 2}
C1CSCCSCCS1.Cc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Cl-]
2 meas.
MOL
3D
#4281
Ru(2)
donors: {"S": 5, "O": 2}
C1CSCCSCCS1.CS(C)=O.CS(C)=O.[Cl-]
2 meas.
MOL
3D
#4280
Ru(2)
donors: {"S": 3, "N": 2}
C1CSCCSCCS1.[Cl-].c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#4279
Ru(2)
donors: {"P": 1, "O": 2}
C1CCC2(CC1)O[C@H]1O[C@@H]3C4COP(O4)O[C@@H]3[C@H]1O2.Cc1ccc(C(C)C)cc1.O=C([O-])CC(=O)[O-]
3 meas.
MOL
3D
#4278
Ru(2)
donors: {"P": 1, "O": 2}
C1CCC2(CC1)O[C@H]1O[C@@H]3C4COP(O4)O[C@@H]3[C@H]1O2.Cc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-]
3 meas.
MOL
3D
#4277
Ru(2)
donors: {"P": 1, "O": 2}
CC1(C)O[C@H]2O[C@@H]3C4COP(O4)O[C@@H]3[C@H]2O1.Cc1ccc(C(C)C)cc1.O=C([O-])CC(=O)[O-]
3 meas.
MOL
3D
#4276
Ru(2)
donors: {"P": 1, "O": 2}
CC1(C)O[C@H]2O[C@@H]3C4COP(O4)O[C@@H]3[C@H]2O1.Cc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-]
3 meas.
MOL
3D
#4275
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Cn1c(-c2ccccc2)c([O-])c(=O)c2ccccc21.[Cl-]
3 meas.
MOL
3D
#4274
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2ccccc2)[nH]c2ccccc12.[Cl-]
3 meas.
MOL
3D
#4273
Ru(2)
donors: {"O": 1}
O=c1c([O-])c(-c2ccc(Cl)cc2)oc2ccccc12.[Cl-].c1ccc(-c2ccccc2)cc1
3 meas.
MOL
3D
#4272
Ru(2)
donors: {"O": 1}
O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Cl-].c1ccc(-c2ccccc2)cc1
3 meas.
MOL
3D
#4271
Ru(2)
donors: {"O": 1}
Cc1ccccc1.O=c1c([O-])c(-c2ccc(Cl)cc2)oc2ccccc12.[Cl-]
3 meas.
MOL
3D
#4270
Ru(2)
donors: {"O": 1}
Cc1ccccc1.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Cl-]
3 meas.
MOL
3D
#4269
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2ccc(Cl)cc2)oc2ccccc12.[I-]
3 meas.
MOL
3D
#4268
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[I-]
3 meas.
MOL
3D
#4267
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2ccc(Cl)cc2)oc2ccccc12.[Br-]
3 meas.
MOL
3D
#4266
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Br-]
3 meas.
MOL
3D
#4265
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(C(=O)NCCCCCCN)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc...
12 meas.
MOL
3D
#4264
Ru(2)
donors: {"N": 3}
CC[Si](CC)(CC)CCCCN(CCCN)CCCN.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#4263
Ru(2)
donors: {"N": 5, "S": 1}
CN(C)CCN1C(=O)C2=CC=CC3=C(N4CCN(C(=S)[S-])CC4)C=CC(C1=O)C23.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2c...
6 meas.
MOL
3D
#4262
Ru(2)
donors: {"N": 5, "S": 1}
CN(C)CCN1C(=O)C2=CC=CC3=C(N4CCN(C(=S)[S-])CC4)C=CC(C1=O)C23.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#4261
Ru(2)
donors: {"N": 5, "S": 1}
CN(C)CCN1C(=O)C2=CC=CC3=C(N4CCN(C(=S)[S-])CC4)C=CC(C1=O)C23.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1
6 meas.
MOL
3D
#4260
Ru(2)
donors: {"N": 5, "S": 1}
CN(C)CCN1C(=O)C2=CC=CC3=C(N4CCN(C(=S)[S-])CC4)C=CC(C1=O)C23.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
6 meas.
MOL
3D
#4259
Ru(2)
donors: {"N": 7, "O": 1}
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCNCC3)cc21.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
7 meas.
MOL
3D
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