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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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#3308
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(C=C([O-])C(F)(F)F)C(F)(F)F.[Cl-]
1 meas.
MOL
3D
#3307
Ru(2)
donors: {"O": 1}
CC(C)(C)C(=O)C=C([O-])C(C)(C)C.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#3306
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(C=C([O-])c1ccccc1)c1ccccc1.[Cl-]
3 meas.
MOL
3D
#3305
Ru(2)
donors: {"O": 1}
CC(=O)C=C(C)[O-].[Cl-].c1ccc2c(c1)Cc1ccccc1C2
1 meas.
MOL
3D
#3304
Ru(2)
donors: {"O": 1}
CC(=O)C=C(C)[O-].[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#3303
Ru(2)
donors: {"O": 1}
CC(=O)C=C(C)[O-].[Cl-].c1ccccc1
1 meas.
MOL
3D
#3302
Ru(2)
donors: {"O": 1}
CC(=O)C=C(C)[O-].[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#3301
Ru(2)
donors: {"O": 1}
CC(=O)C=C(C)[O-].Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#3300
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1cccc2cccnc12.c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#3299
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.N[C@H](Cc1ccccc1)C(=O)[O-].[Cl-]
1 meas.
MOL
3D
#3298
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.N[C@@H](Cc1ccccc1)C(=O)[O-].[Cl-]
1 meas.
MOL
3D
#3297
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.NCCC(=O)[O-].[Cl-]
1 meas.
MOL
3D
#3296
Ru(2)
donors: {"N": 1, "O": 1}
C[C@@H](N)C(=O)[O-].Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#3295
Ru(2)
donors: {"N": 1, "O": 1}
C[C@H](N)C(=O)[O-].Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#3294
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.NCC(=O)[O-].[Cl-]
1 meas.
MOL
3D
#3293
Ru(2)
donors: {"O": 2, "N": 2}
O=S(=O)([O-])c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)[O-])cc4)ccnc23)cc1.[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#3292
Ru(2)
donors: {"N": 2}
Cc1ccc2ccc3ccc(C)nc3c2n1.[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#3291
Ru(2)
donors: {"N": 2}
[Cl-].c1ccc2c(c1)CCC2.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#3290
Ru(2)
donors: {"N": 2}
OCc1ccnc(-c2cc(CO)ccn2)c1.[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#3289
Ru(2)
donors: {"N": 2}
COC(=O)c1ccnc(-c2cc(C(=O)OC)ccn2)c1.[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#3288
Ru(2)
donors: {"N": 2}
Cc1ccnc(-c2cc(C)ccn2)c1.[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#3287
Ru(2)
donors: {"N": 2}
[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#3286
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Nc1cccc(O)c1N.[Cl-]
1 meas.
MOL
3D
#3285
Ru(2)
donors: {"N": 2}
Nc1ccccc1N.[Cl-].c1ccc2c(c1)Cc1ccccc1C2
2 meas.
MOL
3D
#3284
Ru(2)
donors: {"N": 2}
Nc1ccccc1N.[Cl-].c1ccc2c(c1)CCCC2
1 meas.
MOL
3D
#3283
Ru(2)
donors: {"N": 2}
Cc1cc(N)c(N)cc1C.[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#3282
Ru(2)
donors: {"N": 2}
Cc1ccc(N)c(N)c1.[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#3281
Ru(2)
donors: {"N": 2}
N[C@H]1CCC[C@H](N)C1.[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#3280
Ru(2)
donors: {"N": 2}
C1CNCCNC1.[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#3279
Ru(2)
donors: {"N": 2}
CC(CN)CN.[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#3278
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.NCCCN.[Cl-]
1 meas.
MOL
3D
#3277
Ru(2)
donors: {"N": 2}
CN(C)CCN(C)C.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#3276
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1cc2ccc1CCc1ccc(cc1)CC2
1 meas.
MOL
3D
#3275
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc2c(c1)CCc1ccccc1C2
1 meas.
MOL
3D
#3274
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
1 meas.
MOL
3D
#3273
Ru(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
1 meas.
MOL
3D
#3272
Ru(2)
donors: {"N": 2}
CC(C)(c1ccccc1)c1ccccc1.NCCN.[Cl-]
1 meas.
MOL
3D
#3271
Ru(2)
donors: {"Br": 1, "N": 2}
Brc1ccccc1.NCCN.[Cl-]
1 meas.
MOL
3D
#3270
Ru(2)
donors: {"N": 2, "O": 1}
NCCN.OCc1ccccc1.[Cl-]
1 meas.
MOL
3D
#3269
Ru(2)
donors: {"N": 3}
NC(=O)c1ccccc1.NCCN.[Cl-]
1 meas.
MOL
3D
#3268
Ru(2)
donors: {"N": 2, "O": 1}
NCCN.O=C(c1ccccc1)c1ccccc1.[Cl-]
1 meas.
MOL
3D
#3267
Ru(2)
donors: {"N": 2, "O": 1}
NCCN.[Cl-].c1ccc(Oc2ccccc2)cc1
1 meas.
MOL
3D
#3266
Ru(2)
donors: {"N": 4}
COc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[Cl-].c1ccccc1
5 meas.
MOL
3D
#3265
Ru(2)
donors: {"N": 6}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2nnc(-c3ccccn3)n2-n2cccc2)nc1
4 meas.
MOL
3D
#3264
Ru(2)
donors: {"N": 6}
Cc1ccc(C(C)C)cc1.O=C1c2ccccc2C(=O)N1n1c(-c2ccccn2)nnc1-c1ccccn1.[Cl-]
2 meas.
MOL
3D
#3263
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Fc1ccc(C=Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
5 meas.
MOL
3D
#3262
Ru(2)
donors: {"N": 8}
Fc1ccc(C=Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#3261
Ru(2)
donors: {"N": 8}
Fc1ccc(C=Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#3260
Ru(2)
donors: {"N": 8}
[Cl-].[Cl-].c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
2 meas.
MOL
3D
#3259
Ru(3)
donors: {"N": 8}
[Cl-].[Cl-].c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
2 meas.
MOL
3D
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76/142 (7058 total)