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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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Ox. State
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Donor atoms
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#2358
Ru(2)
donors: {"N": 3}
[Cl-].c1ccc(-c2ccccc2)cc1.c1ccc(/N=N/c2ccccn2)cc1
2 meas.
MOL
3D
#2357
Ru(2)
donors: {"N": 3}
[Cl-].c1ccc(/N=N/c2ccccn2)cc1.c1ccccc1
2 meas.
MOL
3D
#2356
Ru(2)
donors: {"N": 3}
[Cl-].c1ccc(/N=N/c2ccccn2)cc1.c1ccc2c(c1)CCCC2
2 meas.
MOL
3D
#2355
Ru(2)
donors: {"N": 3, "P": 1, "O": 2}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C([O-])C1(C(=O)[O-])CCC1
4 meas.
MOL
3D
#2354
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(CNCCCCCCNC(=O)c3ccc(C#C[C@]4(O)CC[C@H]5[C@@H]6CCc7cc(O)ccc7[C@H]6CC[C@@]54C)cc3)ccn2)c1.c1ccc(-c2ccnc3c2cc...
1 meas.
MOL
3D
#2353
Ru(2)
donors: {"N": 6}
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#Cc1ccc(-c2ccc(-c3ccccn3)nc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)c...
1 meas.
MOL
3D
#2352
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(CNCCCCCCNC(=O)c3ccc(C#C[C@]4(O)CC[C@H]5[C@@H]6CCc7cc(O)ccc7[C@H]6CC[C@@]54C)cc3)ccn2)c1.c1ccc(-c2ccccn2)nc...
1 meas.
MOL
3D
#2351
Ru(2)
donors: {"N": 6}
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#Cc1ccc(-c2ccc(-c3ccccn3)nc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2cccc...
1 meas.
MOL
3D
#2350
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.N=c1c2[c-]cccc2[nH]c2ccccc12.[Cl-]
4 meas.
MOL
3D
#2349
Ru(3)
donors: {"N": 3}
Cc1cc(C)c(/N=C/c2cccc(/C=N/c3c(C)cc(C)cc3C)n2)c(C)c1.[Cl-].[Cl-].[Cl-]
7 meas.
MOL
3D
#2348
Ru(2)
donors: {"O": 1}
CC1=C([O-])C(=O)C=CC1.Cc1ccc(C(C)C)cc1.[I-]
3 meas.
MOL
3D
#2347
Ru(2)
donors: {"O": 1}
CC1=C([O-])C(=O)C=CC1.Cc1ccc(C(C)C)cc1.[Br-]
3 meas.
MOL
3D
#2346
Ru(2)
donors: {"O": 1}
CC1=C([O-])C(=S)C=CC1.[Cl-].c1ccc(-c2ccccc2)cc1
3 meas.
MOL
3D
#2345
Ru(2)
donors: {"O": 1}
CC1=C([O-])C(=O)C=CC1.[Cl-].c1ccc(-c2ccccc2)cc1
3 meas.
MOL
3D
#2344
Ru(2)
donors: {"O": 1}
CC1=C([O-])C(=S)C=CC1.Cc1ccccc1.[Cl-]
3 meas.
MOL
3D
#2343
Ru(2)
donors: {"O": 1}
CC1=C([O-])C(=O)C=CC1.Cc1ccccc1.[Cl-]
3 meas.
MOL
3D
#2342
Ru(2)
donors: {"O": 1}
CC1=C([O-])C(=S)C=CC1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#2341
Ru(2)
donors: {"O": 1}
CC1=C([O-])C(=O)C=CC1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#2340
Ru(2)
donors: {"N": 7}
CCNC(=S)N/N=C\c1ccccc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2339
Ru(2)
donors: {"N": 7}
CNC(=S)N/N=C\c1ccccc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2338
Ru(2)
donors: {"N": 7}
NC(=S)N/N=C\c1ccccc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2337
Ru(2)
donors: {"N": 7}
CCNC(=S)N/N=C\c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#2336
Ru(2)
donors: {"N": 7}
NC(=S)N/N=C\c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#2335
Ru(2)
donors: {"N": 6}
Nc1ccc(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#2334
Ru(2)
donors: {"N": 6}
Nc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#2333
Ru(3)
donors: {"S": 1, "O": 1, "N": 2}
CS(C)=O.O=C(NO)c1ccncc1.[Cl-].[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#2332
Ru(3)
donors: {"S": 1, "O": 1, "N": 2}
CS(C)=O.O=C(NO)c1cccnc1.[Cl-].[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#2331
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cn1cncc1-c1cn(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1.OCCc1ccccc1.[Cl-]
2 meas.
MOL
3D
#2330
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.CCCCCCCCCCCCn1cc(-c2cncn2C)nn1.OCCc1ccccc1.[Cl-]
2 meas.
MOL
3D
#2329
Ru(2)
donors: {"N": 5, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.Cn1cncc1-c1cn(CCCCOCCOCCOCCN)nn1.[Cl-]
2 meas.
MOL
3D
#2328
Ru(2)
donors: {"N": 5, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.Cn1cncc1-c1cn(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1.[Cl-...
2 meas.
MOL
3D
#2327
Ru(2)
donors: {"N": 5, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.Cn1cncc1-c1cn(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1.[Cl-]
2 meas.
MOL
3D
#2326
Ru(2)
donors: {"N": 5, "P": 1}
C1N2CN3CN1CP(C2)C3.CCCCCCCCCCCCn1cc(-c2cncn2C)nn1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#2325
Ru(2)
donors: {"N": 5, "P": 1}
C1N2CN3CN1CP(C2)C3.CCCCCCCCCCn1cc(-c2cncn2C)nn1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#2324
Ru(2)
donors: {"N": 5, "P": 1}
C1N2CN3CN1CP(C2)C3.CCCCCCCCn1cc(-c2cncn2C)nn1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#2323
Ru(2)
donors: {"N": 2, "O": 1}
O=C([N-]c1ccc([N+](=O)[O-])cc1)c1ccccn1.[Cl-].c1ccccc1
5 meas.
MOL
3D
#2322
Ru(2)
donors: {"O": 1, "N": 1}
O=C([O-])c1ccccn1.[Cl-].c1ccccc1
13 meas.
MOL
3D
#2321
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.O=C([N-]c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cn1.[Cl-]
5 meas.
MOL
3D
#2320
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.O=C([N-]c1ccc([N+](=O)[O-])cc1)c1ccccn1.[Cl-]
5 meas.
MOL
3D
#2319
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.O=C([N-]c1cccc([N+](=O)[O-])c1)c1ccccn1.[Cl-]
5 meas.
MOL
3D
#2318
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])c1ccccn1.[Cl-]
8 meas.
MOL
3D
#2317
Ru(2)
donors: {"N": 8}
Clc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Cl.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)c...
4 meas.
MOL
3D
#2316
Ru(2)
donors: {"N": 8}
Clc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Cl.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2315
Ru(2)
donors: {"N": 8}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Clc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Cl
4 meas.
MOL
3D
#2314
Ru(2)
donors: {"S": 3, "O": 4}
CS(C)=O.CS(C)=O.CS(C)=O.O=c1c([O-])c(-c2ccc(OCc3ccccc3)cc2)oc2ccccc12.[Cl-]
2 meas.
MOL
3D
#2313
Ru(2)
donors: {"S": 3, "O": 4}
CS(C)=O.CS(C)=O.CS(C)=O.O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1[O-].[Cl-]
2 meas.
MOL
3D
#2312
Ru(2)
donors: {"P": 2}
Cc1ccc(C(C)C)cc1.O=P(CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#2311
Ru(2)
donors: {"P": 2}
Cc1ccc(C(C)C)cc1.O=P(CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#2310
Ru(2)
donors: {"P": 2}
Cc1ccc(C(C)C)cc1.O=P(CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
1 meas.
MOL
3D
#2309
Ru(2)
donors: {"P": 2}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
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