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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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Donor atoms
Has 3D struct
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#4408
Ru(2)
donors: {"N": 5}
CCOC(=O)c1cc(-c2[c-]cccc2)nc(-c2ccccn2)c1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
1 meas.
MOL
3D
#4407
Ru(2)
donors: {"N": 5}
CCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[c-]1ccccc1-c1cccc(-c2ccccn2)n1
1 meas.
MOL
3D
#4406
Ru(2)
donors: {"N": 5}
CCOC(=O)c1cc(-c2[c-]cccc2)nc(-c2ccccn2)c1.CCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1
1 meas.
MOL
3D
#4405
Ru(2)
donors: {"N": 5}
COc1c[c-]c(-c2ccc3ccc4cccnc4c3n2)cc1.Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
1 meas.
MOL
3D
#4404
Ru(2)
donors: {"N": 5}
COC(=O)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
1 meas.
MOL
3D
#4403
Ru(2)
donors: {"N": 5}
CCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.COC(=O)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1
1 meas.
MOL
3D
#4402
Ru(2)
donors: {"N": 5}
CCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1
1 meas.
MOL
3D
#4401
Ru(2)
donors: {"N": 6}
CN(C)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1
1 meas.
MOL
3D
#4400
Ru(2)
donors: {"N": 5}
Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1
1 meas.
MOL
3D
#4399
Ru(2)
donors: {"N": 5}
[c-]1c(-c2ccccn2)cccc1-c1ccccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
1 meas.
MOL
3D
#4398
Ru(2)
donors: {"N": 5}
CC#N.COC(=O)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4397
Ru(2)
donors: {"O": 1, "N": 5}
[O-]c1cccc2cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4396
Ru(2)
donors: {"N": 6}
CC(C)(C)OC(=O)NCCCN(CCCCN(CCCNC(=O)c1ccc(-c2[c-]cccc2)nc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c...
1 meas.
MOL
3D
#4395
Ru(2)
donors: {"N": 7}
CC(C)(C)OC(=O)NC(CC(=O)Nc1cc[c-]c(-c2ccccn2)c1)C(=O)OC(C)(C)C.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4394
Ru(2)
donors: {"N": 6}
O=C(Nc1cc[c-]c(-c2ccccn2)c1)C(OCc1ccccc1)C(OCc1ccccc1)C(OCc1ccccc1)C(COCc1ccccc1)OCc1ccccc1.c1cnc2c(c1)ccc1cccnc12.c1cnc...
1 meas.
MOL
3D
#4393
Ru(2)
donors: {"N": 5}
Brc1cc[c-]c(-c2ccccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4392
Ru(2)
donors: {"N": 6}
CN(C)c1c[c-]c(-c2ccccn2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4391
Ru(2)
donors: {"N": 5, "O": 1}
CC#N.CC#N.O=[N+]([O-])c1cc[c-]c(-c2ccccn2)c1.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4390
Ru(2)
donors: {"N": 5}
Brc1cc[c-]c(-c2ccccn2)c1.CC#N.CC#N.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4389
Ru(2)
donors: {"N": 5}
CC#N.CC#N.[c-]1cccc2ccc3cccnc3c12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4388
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.O=C(c1ccccc1)N([O-])c1ccccc1.c1ccncc1
2 meas.
MOL
3D
#4387
Ru(2)
donors: {"N": 1, "O": 1}
CC(=O)N(C)[O-].Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#4386
Ru(3)
donors: {"N": 2, "O": 2}
COc1cccc(/C=N\c2ncccc2[O-])c1[O-].O.O.[Cl-]
3 meas.
MOL
3D
#4385
Ru(3)
donors: {"N": 3, "O": 1}
COc1cccc(/C=N\c2nc(C)cc(C)n2)c1[O-].O.O.[Cl-].[Cl-]
3 meas.
MOL
3D
#4384
Ru(3)
donors: {"O": 4, "N": 4}
O.O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ncccc2[O-])c1.O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ncccc2[O-])c1.[Cl-]
3 meas.
MOL
3D
#4383
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#4382
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
2 meas.
MOL
3D
#4381
Ru(2)
donors: {"N": 6}
[c-]1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1/C=N/c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4380
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1c[c-]c(/C=N/c2ccccc2)s1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4379
Ru(2)
donors: {"N": 5}
Ic1c[c-]c(/C=N/c2ccccc2)s1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4378
Ru(2)
donors: {"N": 5}
Brc1c[c-]c(/C=N/c2ccccc2)s1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4377
Ru(2)
donors: {"N": 5}
[c-]1ccsc1/C=N/c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4376
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1cccc2ccccc12)c1cccs1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4375
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)NCc1ccccc1)c1cccs1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4374
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccccc1NC(=S)NC(=O)c1cccs1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4373
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=S)Nc1ccccc1)c1cccs1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4372
Ru(2)
donors: {"N": 8}
Clc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Cl.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#4371
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Clc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Cl
4 meas.
MOL
3D
#4370
Ru(2)
donors: {"N": 7}
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
2 meas.
MOL
3D
#4369
Ru(2)
donors: {"N": 7}
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#4368
Ru(2)
donors: {"N": 6}
Nc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1N.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
MOL
3D
#4367
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Nc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1N
4 meas.
MOL
3D
#4366
Ru(2)
donors: {"N": 1, "O": 2}
COc1ccc(CN)cc1.[C-]#[O+].[C-]#[O+].c1cc[cH-]c1
2 meas.
MOL
3D
#4365
Ru(2)
donors: {"N": 1, "O": 2}
NCc1ccccc1.[C-]#[O+].[C-]#[O+].c1cc[cH-]c1
2 meas.
MOL
3D
#4364
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1.c1ccncc1
1 meas.
MOL
3D
#4363
Ru(2)
donors: {"N": 7}
Cc1ccnc(-c2cc(CN3CCOCC3)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
1 meas.
MOL
3D
#4362
Ru(2)
donors: {"N": 7}
Cc1ccnc(-c2cc(CN3CCOCC3)ccn2)c1.Cc1ccnc2c1ccc1c(C)ccnc12.Cc1ccnc2c1ccc1c(C)ccnc12
1 meas.
MOL
3D
#4361
Ru(2)
donors: {"N": 7}
Cc1ccnc(-c2cc(CN3CCOCC3)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4360
Ru(2)
donors: {"N": 7}
Cc1ccnc(-c2cc(CN3CCOCC3)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#4359
Ru(2)
donors: {"N": 7}
[c-]1cccc2ccc3cccnc3c12.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)ccc1cccnc12
13 meas.
MOL
3D
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