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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
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Rh
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Ox. State
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#2308
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.CCOc1cc(C(C)(C)C)[c-](CC(C)(C)C)c1C(C)(C)C.[Cl-]
2 meas.
MOL
3D
#2307
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.COc1cc(C(C)(C)C)[c-](CC(C)(C)C)c1C(C)(C)C.[Cl-]
2 meas.
MOL
3D
#2306
Ru(2)
donors: {"O": 1}
COc1cccc(C(O)c2oc(C)cc(=O)c2[O-])c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2305
Ru(2)
donors: {"O": 1}
Cc1cc(=O)c([O-])c(C(O)c2cccc(F)c2)o1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2304
Ru(2)
donors: {"O": 1}
Cc1cc(=O)c([O-])c(C(O)c2ccc(F)cc2)o1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2303
Ru(2)
donors: {"O": 1}
Cc1cc(=O)c([O-])c(C(O)c2ccccc2)o1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2302
Ru(2)
donors: {"N": 6}
Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(N)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2301
Ru(2)
donors: {"O": 1, "N": 4}
O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c([N+](=O)[O-])c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2300
Ru(2)
donors: {"N": 8}
Oc1c(Br)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2299
Ru(2)
donors: {"N": 8}
Oc1c(Br)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#2298
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.S=C(N/N=C/c1c2ccccc2cc2ccccc12)Nc1ccccc1.[Cl-]
4 meas.
MOL
3D
#2297
Ru(2)
donors: {"N": 3}
CNC(=S)N/N=C/c1c2ccccc2cc2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2296
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NC(=S)N/N=C/c1c2ccccc2cc2ccccc12.[Cl-]
4 meas.
MOL
3D
#2295
Ru(2)
donors: {"S": 3, "N": 2}
C1CSCCSCCS1.COc1ccc(/C=C/c2cc(-c3ccccc3O)[nH]n2)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2294
Ru(2)
donors: {"N": 1, "P": 2}
Cc1ccncc1.c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2293
Ru(2)
donors: {"N": 1, "P": 2}
Cc1ccncc1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2292
Ru(2)
donors: {"N": 2, "P": 2}
c1cc[cH-]c1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2291
Ru(2)
donors: {"N": 2, "P": 2}
C1=NCCN1Cc1ccccc1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2290
Ru(2)
donors: {"N": 7}
CCNC(=S)N/N=C/c1c2ccccc2cc2ccccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#2289
Ru(2)
donors: {"N": 7}
CCNC(=S)N/N=C/c1c2ccccc2cc2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2288
Ru(2)
donors: {"N": 7}
CNC(=S)N/N=C/c1c2ccccc2cc2ccccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#2287
Ru(2)
donors: {"N": 7}
CNC(=S)N/N=C/c1c2ccccc2cc2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2286
Ru(2)
donors: {"N": 7}
NC(=S)N/N=C/c1c2ccccc2cc2ccccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#2285
Ru(2)
donors: {"N": 7}
NC(=S)N/N=C/c1c2ccccc2cc2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2284
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.S=C(N/N=C/c1ccc2c(c1)OCO2)Nc1ccccc1.[Cl-]
3 meas.
MOL
3D
#2283
Ru(2)
donors: {"N": 3}
CCNC(=S)N/N=C/c1ccc2c(c1)OCO2.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2282
Ru(2)
donors: {"N": 2}
[Cl-].c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#2281
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]c1cccnc1-c1ncccc1O.c1ccc2c(c1)CCC2
2 meas.
MOL
3D
#2280
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]c1cccnc1-c1ncccc1O.c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#2279
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]c1cccnc1-c1ncccc1O.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
2 meas.
MOL
3D
#2278
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]c1cccnc1-c1ncccc1O.c1ccccc1
2 meas.
MOL
3D
#2277
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]c1cccnc1-c1ncccc1O.c1ccc2c(c1)CCCC2
2 meas.
MOL
3D
#2276
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]c1cccnc1-c1ncccc1O.c1ccc2c(c1)Cc1ccccc1C2
2 meas.
MOL
3D
#2275
Ru(2)
donors: {"O": 1, "N": 2}
C1=CCC2=C(C1)Cc1ccccc1C2.[Cl-].[O-]c1cccnc1-c1ncccc1O
2 meas.
MOL
3D
#2274
Ru(2)
donors: {"N": 2}
C1=CCC2=C(C1)Cc1ccccc1C2.[Cl-].c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#2273
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nc3c4cccnc4c4ncccc4c3nc1c1cccnc12
3 meas.
MOL
3D
#2272
Ru(2)
donors: {"N": 6}
Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
8 meas.
MOL
3D
#2271
Ru(2)
donors: {"N": 6}
Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#2270
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc(-c2cccc(-c3ccccc3)c2)cc1
4 meas.
MOL
3D
#2269
Ru(2)
donors: {"N": 2}
Cc1cc(C)c(NC(=O)c2ccccn2)c(C)c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2268
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]c1ccc(F)cc1F)c1ccccn1.[Cl-]
2 meas.
MOL
3D
#2267
Ru(2)
donors: {"N": 2}
Cc1cc(N)c(N)cc1C.[Cl-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#2266
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.N=C1C=CC=CC1=N.[I-]
2 meas.
MOL
3D
#2265
Ru(2)
donors: {"N": 2}
Cc1c(C)c(C)c(C)c(C)c1C.N=C1C=CC=CC1=N.[Cl-]
2 meas.
MOL
3D
#2264
Ru(2)
donors: {"N": 1, "P": 1}
CC(=O)N[C@H]1O[C@H]2[C@H](OP3OC[C@H]2O3)[C@H]1O.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#2263
Ru(2)
donors: {"P": 1}
CCS[C@H]1O[C@H]2[C@H](OP3OC[C@H]2O3)[C@H]1O.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
8 meas.
MOL
3D
#2262
Ru(2)
donors: {"P": 1}
C1CCC2(CC1)O[C@H]1O[C@H]3[C@H](OP4OC[C@H]3O4)[C@H]1O2.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
8 meas.
MOL
3D
#2261
Ru(2)
donors: {"P": 1}
CC1(C)O[C@H]2O[C@H]3[C@H](OP4OC[C@H]3O4)[C@H]2O1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
8 meas.
MOL
3D
#2260
Ru(2)
donors: {"N": 3, "O": 1}
CCn1nc(C(=O)[O-])c(=O)c2cc3c(nc21)OCO3.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#2259
Ru(2)
donors: {"N": 2, "O": 1}
CCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
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96/142 (7058 total)