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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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#6458
Os(2)
donors: {"N": 5}
C(=N\N=c1\[nH]c2ccccc2c2[nH]c3ccccc3c12)\c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6457
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=c1[nH]c2ccccc2nc1-c1nc2ccccc2s1.[Cl-]
3 meas.
MOL
3D
#6456
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=c1[nH]c2ccccc2nc1-c1nc2ccccc2o1.[Cl-]
3 meas.
MOL
3D
#6455
Os(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=c1[nH]c2ccccc2nc1-c1nc2ccccc2[nH]1.[Cl-]
3 meas.
MOL
3D
#6454
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Oc1cccc(/C=N/NC(=S)Nc2ccccc2)c1O.[Cl-]
5 meas.
MOL
3D
#6453
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NC(=S)N/N=C/c1cccc(O)c1O.[Cl-]
5 meas.
MOL
3D
#6452
Os(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.[O-]c1cccc2cccnc12.c1c[nH]cn1
4 meas.
MOL
3D
#6451
Os(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.[O-]c1cccc2cccnc12.c1cn[nH]c1
2 meas.
MOL
3D
#6450
Os(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1cccc2cccnc12
6 meas.
MOL
3D
#6449
Os(2)
donors: {"N": 3}
CC(C)[C@H](N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#6448
Os(2)
donors: {"N": 3}
CC(C)[C@@H](N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#6447
Os(2)
donors: {"N": 5, "P": 1}
C1N2CN3CN1CP(C2)C3.S=C(Nc1ccc(Cl)cc1)c1ccccn1.c1ccc(-c2ccccc2)cc1
4 meas.
MOL
3D
#6446
Os(2)
donors: {"N": 2, "P": 1}
S=C(Nc1ccc(Cl)cc1)c1ccccn1.c1ccc(-c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#6445
Os(2)
donors: {"N": 5, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.S=C(Nc1ccc(Cl)cc1)c1ccccn1
4 meas.
MOL
3D
#6444
Os(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.S=C(Nc1ccc(Cl)cc1)c1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#6443
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.S=C(/N=C/C=C/c1ccccc1)Nc1ccccc1.[Cl-]
4 meas.
MOL
3D
#6442
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NS(=O)(=O)c1ccc(/C=N/C(=S)Nc2ccccc2)cc1.[Cl-]
4 meas.
MOL
3D
#6441
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.S=C(/N=C/c1ccccc1)Nc1ccccc1.[Cl-]
4 meas.
MOL
3D
#6440
Os(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.O=C([O-])C(Cl)Cl.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
5 meas.
MOL
3D
#6439
Os(2)
donors: {"N": 6}
CC1(C)CC(NC(=O)c2ccc3[nH]c4c(c3c2)C/C(=N\Cc2ccccn2)Nc2ccccc2-4)CC(C)(C)N1[O].Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#6438
Os(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Clc1nc2ccc(/N=C/c3ccccn3)cc2c2[nH]c3ccccc3c12.[Cl-]
3 meas.
MOL
3D
#6437
Os(2)
donors: {"N": 4}
C(=N/c1ccc2ncc3c4ccccc4[nH]c3c2c1)\c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6436
Os(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=c1[nH]c2ccc(/N=C/c3ccccn3)cc2c2[nH]c3ccccc3c12.[Cl-]
3 meas.
MOL
3D
#6435
Os(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.Cc1ncc(CO)c(/C=N\NC2=Nc3ccccc3-c3[nH]c4ccc(Br)cc4c3C2)c1O.[Cl-]
9 meas.
MOL
3D
#6434
Os(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Oc1ccccc1/C=N\NC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1.[Cl-]
9 meas.
MOL
3D
#6433
Os(2)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1-[n+]1[c-]c(-c2ccccc2)n(C)n1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6432
Os(2)
donors: {"N": 2}
CC(=O)OC[C@H]1O[C@@H]([n+]2[c-]c(-c3ccccc3)n(C)n2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.Cc1ccc(C(C)C)cc1.[Cl-].[Cl...
3 meas.
MOL
3D
#6431
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cn1n[n+](Cc2ccccc2)[c-]c1-c1ccccc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6430
Os(2)
donors: {"N": 2}
CCCCCCCCCCCC[n+]1[c-]c(-c2ccccc2)n(C)n1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6429
Os(2)
donors: {"N": 2}
CCCCCC[n+]1[c-]c(-c2ccccc2)n(C)n1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6428
Os(2)
donors: {"N": 2}
CC[n+]1[c-]c(-c2ccccc2)n(C)n1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6427
Os(2)
donors: {"N": 5}
COCc1cccc2nc(-c3n[nH]c4ncc(Br)cc34)[nH]c12.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6426
Os(2)
donors: {"N": 5}
Brc1cnc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6425
Os(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc2[nH]c(-c3n[nH]c4ncccc34)nc2c1
3 meas.
MOL
3D
#6424
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C1C=CC(=O)N1Cc1ccncc1.[I-].[I-]
3 meas.
MOL
3D
#6423
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C1C=CC(=O)N1Cc1ccncc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6422
Os(2)
donors: {"O": 2, "N": 3}
Cc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-].O=C1C=CC(=O)N1c1ccc2cn[nH]c2c1
3 meas.
MOL
3D
#6421
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C1C=CC(=O)N1c1ccc2cn[nH]c2c1.[I-].[I-]
3 meas.
MOL
3D
#6420
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C1C=CC(=O)N1c1ccc2cn[nH]c2c1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6419
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NS(=O)(=O)c1ccc(NC(=S)c2ccccn2)cc1.[Cl-]
4 meas.
MOL
3D
#6418
Os(2)
donors: {"N": 3}
CN(C)c1ccc(/N=C/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[I-]
6 meas.
MOL
3D
#6417
Os(2)
donors: {"N": 3}
CN(C)c1ccc(/N=C/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#6416
Os(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=C(OC[C@H]1O[C@@H](n2cc(-c3ccc4ccccc4n3)nn2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1...
5 meas.
MOL
3D
#6415
Os(2)
donors: {"N": 4}
CCCCCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccccn3)nn2)[C@H](OC(=O)CCCCCCC)[C@@H](OC(=O)CCCCCCC)[C@@H]1OC(=O)CCCCCCC.Cc1ccc(C(C)...
1 meas.
MOL
3D
#6414
Os(2)
donors: {"N": 4}
CCCCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccccn3)nn2)[C@H](OC(=O)CCCCCC)[C@@H](OC(=O)CCCCCC)[C@@H]1OC(=O)CCCCCC.Cc1ccc(C(C)C)cc...
1 meas.
MOL
3D
#6413
Os(2)
donors: {"N": 4}
CCCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccccn3)nn2)[C@H](OC(=O)CCCCC)[C@@H](OC(=O)CCCCC)[C@@H]1OC(=O)CCCCC.Cc1ccc(C(C)C)cc1.[C...
1 meas.
MOL
3D
#6412
Os(2)
donors: {"N": 4}
CCCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccccn3)nn2)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#6411
Os(2)
donors: {"N": 4}
CCCC(=O)OC[C@H]1O[C@@H](n2cc(-c3ccccn3)nn2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#6410
Os(2)
donors: {"N": 6}
COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#6409
Os(2)
donors: {"O": 1}
CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
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