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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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Ir
Os
Re
Rh
Ru
Ox. State
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Donor atoms
Has 3D struct
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#2408
Ru(2)
donors: {"O": 1, "N": 5}
[O-]c1ccccc1/C=N/c1ccc(F)c(Cl)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#2407
Ru(2)
donors: {"N": 7}
NC(=S)N/N=C\c1ccccc1F.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2406
Ru(2)
donors: {"N": 7}
NC(=S)N/N=C\c1ccccc1F.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#2405
Ru(2)
donors: {"N": 7}
NC(=S)N/N=C\c1ccccc1Cl.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2404
Ru(2)
donors: {"N": 7}
NC(=S)N/N=C\c1ccccc1Cl.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#2403
Ru(2)
donors: {"N": 7}
NC(=S)N/N=C\c1ccc(Cl)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2402
Ru(2)
donors: {"N": 7}
NC(=S)N/N=C\c1ccc(Cl)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#2401
Ru(2)
donors: {"N": 7}
COc1ccc(/C=N\NC(N)=S)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
8 meas.
MOL
3D
#2400
Ru(2)
donors: {"N": 7}
COc1ccc(/C=N\NC(N)=S)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
8 meas.
MOL
3D
#2399
Ru(2)
donors: {"N": 8}
NC(=S)N/N=C1\C(=O)Nc2ccccc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2398
Ru(2)
donors: {"N": 8}
NC(=S)N/N=C1\C(=O)Nc2ccccc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#2397
Ru(2)
donors: {"N": 6}
NCc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
2 meas.
MOL
3D
#2396
Ru(2)
donors: {"N": 6}
NCc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#2395
Ru(2)
donors: {"N": 6}
NCc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#2394
Ru(2)
donors: {"N": 5}
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(C(C)C)cc1
4 meas.
MOL
3D
#2393
Ru(2)
donors: {"N": 5}
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.Cc1ccc(C(C)C)cc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#2392
Ru(2)
donors: {"N": 5}
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.Cc1ccc(C(C)C)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
MOL
3D
#2391
Ru(2)
donors: {"N": 5}
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.Cc1ccc(C(C)C)cc1.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2390
Ru(2)
donors: {"N": 2}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.Cc1ccc(C(C)C)cc1.[Cl-]
9 meas.
MOL
3D
#2389
Ru(2)
donors: {"N": 2}
Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2388
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(Cn1ccnc1)c1c2ccccc2cc2ccccc12.[Cl-].[Cl-]
5 meas.
MOL
3D
#2387
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(Cn1cnc2ccccc21)N1c2ccccc2Oc2ccccc21.[Cl-].[Cl-]
5 meas.
MOL
3D
#2386
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(Cn1ccnc1)N1c2ccccc2Oc2ccccc21.[Cl-].[Cl-]
5 meas.
MOL
3D
#2385
Ru(2)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.O=Cc1ccc(OCC(=O)NCc2ccccc2)cc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#2384
Ru(2)
donors: {"N": 6}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.Nc1nc(Nc2ccccc2)nc(-c2ccccn2)n1
5 meas.
MOL
3D
#2383
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc2cc3ccccc3cc2c1
2 meas.
MOL
3D
#2382
Ru(3)
donors: {"O": 2, "N": 3}
CCc1occc(=O)c1[O-].CCc1occc(=O)c1[O-].O=C(Cn1ccnc1[N+](=O)[O-])NCC(F)(F)C(F)(F)F.O=C(Cn1ccnc1[N+](=O)[O-])NCC(F)(F)C(F)(...
1 meas.
MOL
3D
#2381
Ru(3)
donors: {"O": 2, "N": 3}
Cc1occc(=O)c1[O-].Cc1occc(=O)c1[O-].O=C(Cn1ccnc1[N+](=O)[O-])NCC(F)(F)C(F)(F)F.O=C(Cn1ccnc1[N+](=O)[O-])NCC(F)(F)C(F)(F)...
1 meas.
MOL
3D
#2380
Ru(3)
donors: {"O": 4}
CCO.CCO.CCc1occc(=O)c1[O-].CCc1occc(=O)c1[O-]
1 meas.
MOL
3D
#2379
Ru(3)
donors: {"O": 4}
CCO.CCO.Cc1occc(=O)c1[O-].Cc1occc(=O)c1[O-]
1 meas.
MOL
3D
#2378
Ru(3)
donors: {"O": 4, "N": 4}
CCc1occc(=O)c1[O-].CCc1occc(=O)c1[O-].Cc1ncc([N+](=O)[O-])n1CCO.Cc1ncc([N+](=O)[O-])n1CCO
1 meas.
MOL
3D
#2377
Ru(3)
donors: {"N": 4, "O": 4}
Cc1ncc([N+](=O)[O-])n1CCO.Cc1ncc([N+](=O)[O-])n1CCO.Cc1occc(=O)c1[O-].Cc1occc(=O)c1[O-]
1 meas.
MOL
3D
#2376
Ru(2)
donors: {"S": 3, "N": 2}
C1CSCCSCCS1.NCCN.[Cl-]
10 meas.
MOL
3D
#2375
Ru(2)
donors: {"S": 1, "N": 3, "P": 1}
C1CSCCSCCS1.C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.[Cl-]
2 meas.
MOL
3D
#2374
Ru(2)
donors: {"S": 3, "N": 3, "P": 1}
C1CSCCSCCS1.C1N2CN3CN1CP(C2)C3.[Cl-].[Cl-]
2 meas.
MOL
3D
#2373
Ru(2)
donors: {"N": 2}
CCCCn1ccnc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2372
Ru(2)
donors: {"N": 3, "O": 2}
C=C(CC)C(=C)c1ccc(OCC(=O)NCCCn2ccnc2)c(Cl)c1Cl.Cc1ccc(C(C)C)cc1.O=C([O-])C1(C(=O)[O-])CCC1
2 meas.
MOL
3D
#2371
Ru(2)
donors: {"N": 3, "O": 2}
C=C(CC)C(=C)c1ccc(OCC(=O)NCCCn2ccnc2)c(Cl)c1Cl.Cc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-]
2 meas.
MOL
3D
#2370
Ru(2)
donors: {"N": 3}
C=C(CC)C(=C)c1ccc(OCC(=O)NCCCn2ccnc2)c(Cl)c1Cl.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2369
Ru(2)
donors: {"N": 5}
CN(C)c1ccc(/N=N/c2cc[nH]n2)cc1.[Cl-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#2368
Ru(2)
donors: {"N": 5}
CN(C)c1ccc(/N=N/c2cc[nH]n2)cc1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#2367
Ru(2)
donors: {"N": 5}
CN(C)c1ccc(/N=N/c2cc[nH]n2)cc1.[Cl-].c1ccc2c(c1)CCCC2
2 meas.
MOL
3D
#2366
Ru(2)
donors: {"N": 5}
CN(C)c1ccc(/N=N/c2cc[nH]n2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#2365
Ru(2)
donors: {"N": 3}
Oc1ccc(/N=N/c2ccccn2)cc1.[Cl-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#2364
Ru(2)
donors: {"N": 3}
Oc1ccc(/N=N/c2ccccn2)cc1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#2363
Ru(2)
donors: {"N": 3}
Oc1ccc(/N=N/c2ccccn2)cc1.[Cl-].c1ccc2c(c1)CCCC2
2 meas.
MOL
3D
#2362
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Oc1ccc(/N=N/c2ccccn2)cc1.[Cl-]
2 meas.
MOL
3D
#2361
Ru(2)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.[Cl-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#2360
Ru(2)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#2359
Ru(2)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.[Cl-].c1ccc2c(c1)CCCC2
2 meas.
MOL
3D
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94/142 (7058 total)