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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
Re
Rh
Ru
Ox. State
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#4358
Ru(2)
donors: {"N": 6}
Cn1ccnc1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
2 meas.
MOL
3D
#4357
Ru(2)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.c1c[nH]cn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
2 meas.
MOL
3D
#4356
Ru(2)
donors: {"N": 5}
CC#N.[c-]1ccccc1-c1ccccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
4 meas.
MOL
3D
#4355
Ru(2)
donors: {"N": 6}
CC#N.CC#N.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#4354
Ru(2)
donors: {"N": 5}
CC#N.CC#N.C[C@@H](c1[c-]cccc1)N(C)C.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#4353
Ru(2)
donors: {"N": 5}
CC#N.CC#N.C[C@H](c1[c-]cccc1)N(C)C.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#4352
Ru(2)
donors: {"N": 5, "O": 1}
CC#N.CC#N.CN(C)Cc1[c-]cc([N+](=O)[O-])cc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#4351
Ru(2)
donors: {"N": 5}
CC#N.CC#N.COc1c[c-]c(CN(C)C)cc1OC.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#4350
Ru(2)
donors: {"N": 5}
CC#N.CC#N.Cc1c[c-]c(CN(C)C)cc1C.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#4349
Ru(2)
donors: {"N": 5}
CC#N.CC#N.CN(C)Cc1[c-]cc(C(F)(F)F)cc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#4348
Ru(2)
donors: {"N": 5}
CC#N.CC#N.CN(C)Cc1[c-]cccc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#4347
Ru(2)
donors: {"N": 3, "P": 2}
CC#N.CC#N.[c-]1ccccc1-c1ccccn1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4346
Ru(2)
donors: {"N": 3, "P": 2}
CC#N.CC#N.[c-]1ccccc1-c1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4345
Ru(2)
donors: {"N": 7, "P": 1}
C1N2CN3CN1CP(C2)C3.CC#N.CC#N.CC#N.[c-]1ccccc1-c1ccccn1
2 meas.
MOL
3D
#4344
Ru(2)
donors: {"N": 1, "O": 1}
CC(=O)Nc1ccc(-c2oc3ccccc3c(=O)c2[O-])cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#4343
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=c1c([O-])c(-c2c(F)cccc2F)oc2ccccc12.[Cl-]
3 meas.
MOL
3D
#4342
Ru(2)
donors: {"O": 1}
COc1cc(OC)cc(-c2oc3ccccc3c(=O)c2[O-])c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#4341
Ru(2)
donors: {"O": 1}
COc1ccc(-c2oc3ccccc3c(=O)c2[O-])cc1OC.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#4340
Ru(2)
donors: {"N": 2}
CC(=N\c1ccc(Br)cc1)/C(C)=N/c1ccc(Br)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
7 meas.
MOL
3D
#4339
Ru(2)
donors: {"N": 2}
CC(=N\c1ccc(C)cc1)/C(C)=N/c1ccc(C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
7 meas.
MOL
3D
#4338
Ru(2)
donors: {"N": 5, "O": 1}
Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
6 meas.
MOL
3D
#4337
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NCCNCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.[Cl-]
5 meas.
MOL
3D
#4336
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NCCNCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.[Cl-]
5 meas.
MOL
3D
#4335
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(CN3CCN(c4ccccc4)CC3)ccn2)c1.Cc1ccnc(-c2cc(CN3CCN(c4ccccc4)CC3)ccn2)c1.Cc1ccnc(-c2cc(CN3CCN(c4ccccc4)CC3)cc...
3 meas.
MOL
3D
#4334
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(CN3CCN(Cc4ccccc4)CC3)ccn2)c1.Cc1ccnc(-c2cc(CN3CCN(Cc4ccccc4)CC3)ccn2)c1.Cc1ccnc(-c2cc(CN3CCN(Cc4ccccc4)CC3...
3 meas.
MOL
3D
#4333
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(CN3CCC(=O)CC3)ccn2)c1.Cc1ccnc(-c2cc(CN3CCC(=O)CC3)ccn2)c1.Cc1ccnc(-c2cc(CN3CCC(=O)CC3)ccn2)c1
3 meas.
MOL
3D
#4332
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(CN3CCC(N4CCCCC4)CC3)ccn2)c1.Cc1ccnc(-c2cc(CN3CCC(N4CCCCC4)CC3)ccn2)c1.Cc1ccnc(-c2cc(CN3CCC(N4CCCCC4)CC3)cc...
3 meas.
MOL
3D
#4331
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(CN3CCC(C)CC3)ccn2)c1.Cc1ccnc(-c2cc(CN3CCC(C)CC3)ccn2)c1.Cc1ccnc(-c2cc(CN3CCC(C)CC3)ccn2)c1
3 meas.
MOL
3D
#4330
Ru(2)
donors: {"N": 3}
S=C(N/N=C/c1ccc2ccc3cccc4ccc1c2c34)NC1CCCCC1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#4329
Ru(2)
donors: {"N": 3}
S=C(N/N=C/c1ccc2ccc3cccc4ccc1c2c34)N1CCOCC1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#4328
Ru(2)
donors: {"N": 3}
S=C(N/N=C/c1ccc2ccc3cccc4ccc1c2c34)N1CCCC1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#4327
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.S=C(N/N=C/c1ccc2ccc3cccc4ccc1c2c34)NC1CCCCC1.[Cl-]
4 meas.
MOL
3D
#4326
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.S=C(N/N=C/c1ccc2ccc3cccc4ccc1c2c34)N1CCOCC1.[Cl-]
4 meas.
MOL
3D
#4325
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.S=C(N/N=C/c1ccc2ccc3cccc4ccc1c2c34)N1CCCC1.[Cl-]
4 meas.
MOL
3D
#4324
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=c1cc(-c2ccc(F)cc2)[nH]n1-c1ccccn1.[Cl-]
4 meas.
MOL
3D
#4323
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=c1cc(-c2ccc(Cl)cc2)[nH]n1-c1ccccn1.[Cl-]
4 meas.
MOL
3D
#4322
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=c1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1ccccn1.[Cl-]
4 meas.
MOL
3D
#4321
Ru(2)
donors: {"N": 3}
CC(C)(C)c1ccc(-c2cc(=O)n(-c3ccccn3)[nH]2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#4320
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=c1cc(-c2ccccc2)[nH]n1-c1ccccn1.[Cl-]
4 meas.
MOL
3D
#4319
Ru(2)
donors: {"S": 1, "N": 3}
[Cl-].[S-]/C(=N\N=C/C=C/c1ccccc1)Nc1ccccc1.c1ccccc1
4 meas.
MOL
3D
#4318
Ru(2)
donors: {"S": 1, "N": 3}
[Cl-].[S-]/C(=N\N=C/C=C/c1ccccc1)N1CCOCC1.c1ccccc1
4 meas.
MOL
3D
#4317
Ru(2)
donors: {"S": 1, "N": 3}
[Cl-].[S-]/C(=N\N=C/C=C/c1ccccc1)N1CCCC1.c1ccccc1
4 meas.
MOL
3D
#4316
Ru(2)
donors: {"S": 1, "N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].[S-]/C(=N\N=C/C=C/c1ccccc1)Nc1ccccc1
4 meas.
MOL
3D
#4315
Ru(2)
donors: {"S": 1, "N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].[S-]/C(=N\N=C/C=C/c1ccccc1)N1CCOCC1
4 meas.
MOL
3D
#4314
Ru(2)
donors: {"S": 1, "N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].[S-]/C(=N\N=C/C=C/c1ccccc1)N1CCCC1
4 meas.
MOL
3D
#4313
Ru(2)
donors: {"N": 6}
Cc1ccc(NCC(=O)N/N=C/c2cocc(O)c2=O)cc1.Cc1ccc(NCC(=O)N/N=C/c2cocc(O)c2=O)cc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#4312
Ru(3)
donors: {"S": 1, "O": 1, "N": 5}
CS(C)=O.Oc1cccc(CNc2nc[nH+]c3nc[nH]c23)c1.[Cl-].[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#4311
Ru(3)
donors: {"S": 1, "O": 1, "N": 5}
CS(C)=O.Oc1ccccc1CNc1nc[nH+]c2nc[nH]c12.[Cl-].[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#4310
Ru(3)
donors: {"N": 5, "S": 1, "O": 1}
COc1ccc(CNc2nc[nH+]c3nc[nH]c23)cc1.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#4309
Ru(3)
donors: {"N": 5, "S": 1, "O": 1}
COc1cccc(CNc2nc[nH+]c3nc[nH]c23)c1.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
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