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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
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#3508
Ru(2)
donors: {"S": 2, "O": 3}
CS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O.O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1[O-]
1 meas.
MOL
3D
#3507
Ru(2)
donors: {"O": 3, "S": 2}
COc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1.CS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O
3 meas.
MOL
3D
#3506
Ru(2)
donors: {"N": 6}
C1=CC2NC=C(c3nc4c5cccnc5c5ncccc5c4[nH]3)C2C=C1.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
3 meas.
MOL
3D
#3505
Ru(2)
donors: {"N": 6}
c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1.c1ccc2c(c1)Cc1ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc1-2
3 meas.
MOL
3D
#3504
Ru(2)
donors: {"N": 6}
C1=Cc2ccc3c(-c4nc5c6cccnc6c6ncccc6c5[nH]4)ccc4c3c2C(=CC4)C1.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
3 meas.
MOL
3D
#3503
Ru(2)
donors: {"N": 5}
C1=C/C(=C(\c2ccc(N3CCN(c4ccccn4)CC3)cc2)c2ccc[nH]2)N=C1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#3502
Ru(2)
donors: {"N": 6}
C1=C/C(=C(\c2ccc(N3CCN(c4ncccn4)CC3)cc2)c2ccc[nH]2)N=C1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#3501
Ru(2)
donors: {"N": 5}
C1=C/C(=C(\c2ccc(N3CCN(c4ccccn4)CC3)cc2)c2ccc[nH]2)N=C1.[Cl-].c1ccccc1
1 meas.
MOL
3D
#3500
Ru(2)
donors: {"N": 6}
C1=C/C(=C(\c2ccc(N3CCN(c4ncccn4)CC3)cc2)c2ccc[nH]2)N=C1.[Cl-].c1ccccc1
1 meas.
MOL
3D
#3499
Ru(2)
donors: {"N": 8}
CCOC(OCC)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
1 meas.
MOL
3D
#3498
Ru(2)
donors: {"N": 8}
CCOC(OCC)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#3497
Ru(2)
donors: {"N": 8}
CCOC(OCC)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#3496
Ru(2)
donors: {"N": 6}
CN(C)c1ccc(/N=C/c2ccc3ccccc3n2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
4 meas.
MOL
3D
#3495
Ru(2)
donors: {"N": 6}
CN(C)c1ccc(/N=C/c2ccccn2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
4 meas.
MOL
3D
#3494
Ru(2)
donors: {"N": 8}
C(=N/c1ccccc1)\c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
4 meas.
MOL
3D
#3493
Ru(2)
donors: {"N": 7}
CN(C)c1ccc(/N=C/c2ccc3ccccc3n2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#3492
Ru(2)
donors: {"N": 6}
C(=N/c1ccccc1)\c1ccc2ccccc2n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#3491
Ru(2)
donors: {"N": 7}
CN(C)c1ccc(/N=C/c2ccccn2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#3490
Ru(2)
donors: {"N": 6}
C(=N/c1ccccc1)\c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#3489
Ru(2)
donors: {"N": 3}
Brc1ccc2nc(-c3ccc4ccccc4n3)[nH]c2c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3488
Ru(2)
donors: {"N": 3}
Brc1ccc2[nH]c(-c3ccc4ccccc4n3)nc2c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3487
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Fc1ccc2nc(-c3ccc4ccccc4n3)[nH]c2c1.[Cl-]
3 meas.
MOL
3D
#3486
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Fc1ccc2[nH]c(-c3ccc4ccccc4n3)nc2c1.[Cl-]
3 meas.
MOL
3D
#3485
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Clc1cc2nc(-c3ccc4ccccc4n3)[nH]c2cc1Cl.[Cl-]
3 meas.
MOL
3D
#3484
Ru(2)
donors: {"N": 3}
Cc1cc2nc(-c3ccc4ccccc4n3)[nH]c2cc1C.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3483
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc2sc(-c3ccc4ccccc4n3)nc2c1.[Cl-]
3 meas.
MOL
3D
#3482
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc2nc(-c3ccc4ccccc4n3)[nH]c2c1.[Cl-]
3 meas.
MOL
3D
#3481
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc2[nH]c(-c3ccc4ccccc4n3)nc2c1.[Cl-]
3 meas.
MOL
3D
#3480
Ru(2)
donors: {"N": 3}
COc1ccc2nc(-c3ccc4ccccc4n3)[nH]c2c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3479
Ru(2)
donors: {"N": 3}
COc1ccc2[nH]c(-c3ccc4ccccc4n3)nc2c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3478
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.FC(F)(F)c1ccc2nc(-c3ccc4ccccc4n3)[nH]c2c1.[Cl-]
3 meas.
MOL
3D
#3477
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.FC(F)(F)c1ccc2[nH]c(-c3ccc4ccccc4n3)nc2c1.[Cl-]
3 meas.
MOL
3D
#3476
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Clc1ccc2nc(-c3ccc4ccccc4n3)[nH]c2c1.[Cl-]
3 meas.
MOL
3D
#3475
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Clc1ccc2[nH]c(-c3ccc4ccccc4n3)nc2c1.[Cl-]
3 meas.
MOL
3D
#3474
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc2sc(-c3cccc(-c4cc5ccccc5o4)n3)nc2c1.[Cl-]
3 meas.
MOL
3D
#3473
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc2sc(-c3cccc(-c4cc5ccccc5s4)n3)nc2c1.[Cl-]
3 meas.
MOL
3D
#3472
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc2sc(-c3cccc(-c4cccc5ccccc45)n3)nc2c1.[Cl-]
3 meas.
MOL
3D
#3471
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.FC(F)(F)c1ccc(-c2cccc(-c3nc4cc(Cl)ccc4s3)n2)cc1.[Cl-]
3 meas.
MOL
3D
#3470
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Fc1ccc(-c2cccc(-c3nc4cc(Cl)ccc4s3)n2)cc1.[Cl-]
3 meas.
MOL
3D
#3469
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc(-c2cccc(-c3nc4cc(Cl)ccc4s3)n2)cc1.[Cl-]
3 meas.
MOL
3D
#3468
Ru(2)
donors: {"N": 2}
CC(=O)c1ccc(-c2cccc(-c3nc4cc(Cl)ccc4s3)n2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3467
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=Cc1ccc(-c2cccc(-c3nc4cc(Cl)ccc4s3)n2)cc1.[Cl-]
3 meas.
MOL
3D
#3466
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc2sc(-c3cccc(-c4ccccc4)n3)nc2c1.[Cl-]
3 meas.
MOL
3D
#3465
Ru(2)
donors: {"N": 2}
CC(=O)c1ccc(-c2cccc(-c3nc4ccccc4s3)n2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3464
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=Cc1ccc(-c2cccc(-c3nc4ccccc4s3)n2)cc1.[Cl-]
3 meas.
MOL
3D
#3463
Ru(2)
donors: {"N": 2}
COc1ccc(-c2cccc(-c3nc4ccccc4s3)n2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3462
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc2sc(-c3cccc(Br)n3)nc2c1.[Cl-]
3 meas.
MOL
3D
#3461
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc2nc(-c3cccc(Br)n3)[nH]c2c1.[Cl-]
3 meas.
MOL
3D
#3460
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc2[nH]c(-c3cccc(Br)n3)nc2c1.[Cl-]
3 meas.
MOL
3D
#3459
Ru(2)
donors: {"N": 3}
COc1ccc2nc(-c3cccc(Br)n3)[nH]c2c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
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72/142 (7058 total)