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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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#5408
Ir(3)
donors: {"N": 8}
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCn1ccnc1.O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCn1ccnc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c...
5 meas.
MOL
3D
#5407
Ir(3)
donors: {"N": 3, "O": 1}
Fc1[c-]c(-c2ccc3ccccc3n2)cc(F)c1F.Fc1[c-]c(-c2ccc3ccccc3n2)cc(F)c1F.O=C([O-])c1ccccn1
6 meas.
MOL
3D
#5406
Ir(3)
donors: {"N": 3, "O": 1}
Fc1[c-]c(-c2ccccn2)cc(F)c1F.Fc1[c-]c(-c2ccccn2)cc(F)c1F.O=C([O-])c1ccccn1
6 meas.
MOL
3D
#5405
Ir(3)
donors: {"N": 3}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#5404
Ir(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[nH]2)nc1
4 meas.
MOL
3D
#5403
Ir(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1
1 meas.
MOL
3D
#5402
Ir(3)
donors: {"O": 1, "N": 7}
[O-]c1ccccc1/C=N/c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[c-]1ccccc...
1 meas.
MOL
3D
#5401
Ir(3)
donors: {"N": 2}
C/C(=N\O)c1ccccn1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
1 meas.
MOL
3D
#5400
Ir(3)
donors: {"N": 2}
C/C(=N\O)c1ccccn1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
1 meas.
MOL
3D
#5399
Ir(3)
donors: {"N": 2}
C/C(=N\O)c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#5398
Ir(3)
donors: {"N": 2}
C/C(=N\C12CC3CC(CC(C3)C1)C2)c1ccccn1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
1 meas.
MOL
3D
#5397
Ir(3)
donors: {"N": 2}
C/C(=N\C12CC3CC(CC(C3)C1)C2)c1ccccn1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
1 meas.
MOL
3D
#5396
Ir(3)
donors: {"N": 2}
C/C(=N\C12CC3CC(CC(C3)C1)C2)c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5395
Ir(3)
donors: {"O": 1, "N": 2}
CCC(=O)/C=C(\[O-])CC.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
2 meas.
MOL
3D
#5394
Ir(3)
donors: {"O": 1, "N": 2}
CCC(=O)/C=C(\[O-])CC.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1
2 meas.
MOL
3D
#5393
Ir(3)
donors: {"P": 2, "N": 2}
C(=C/P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.O=Cc1c[c-]c(-c2ccccn2)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1
3 meas.
MOL
3D
#5392
Ir(3)
donors: {"N": 2, "P": 2}
O=Cc1c[c-]c(-c2ccccn2)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#5391
Ir(3)
donors: {"N": 2, "P": 2}
O=Cc1c[c-]c(-c2ccccn2)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#5390
Ir(3)
donors: {"P": 2, "N": 2}
C(=C/P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5389
Ir(3)
donors: {"N": 2, "P": 2}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#5388
Ir(3)
donors: {"N": 3, "O": 1}
COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.Cc1cc[n+](Cc2ccnc(C(=O)[O-])c2)cc1
3 meas.
MOL
3D
#5387
Ir(3)
donors: {"N": 3, "O": 1}
COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.O=C([O-])c1cc(CO)ccn1
3 meas.
MOL
3D
#5386
Ir(3)
donors: {"N": 4}
COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.Cc1ccnc(-c2cc(C)ccn2)c1
3 meas.
MOL
3D
#5385
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].[c-]1ccccc1-c1ccccn1
2 meas.
MOL
3D
#5384
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(-c2[c-]cccc2)nc1.[Cl-]
1 meas.
MOL
3D
#5383
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccnc(-c2[c-]cccc2)c1.[Cl-]
4 meas.
MOL
3D
#5382
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc[c-]c1-c1ccccn1.[Cl-]
1 meas.
MOL
3D
#5381
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Oc1ccc(-c2[c-]cccc2)nc1.[Cl-]
1 meas.
MOL
3D
#5380
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Oc1c[c-]c(-c2ccccn2)cc1.[Cl-]
4 meas.
MOL
3D
#5379
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.OCc1ccnc(-c2[c-]cccc2)c1.[Cl-]
4 meas.
MOL
3D
#5378
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.OCc1c[c-]c(-c2ccccn2)cc1.[Cl-]
1 meas.
MOL
3D
#5377
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.O=[N+]([O-])c1ccnc(-c2[c-]cccc2)c1.[Cl-]
4 meas.
MOL
3D
#5376
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.O=[N+]([O-])c1c[c-]c(-c2ccccn2)cc1.[Cl-]
1 meas.
MOL
3D
#5375
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.O=Cc1ccc(-c2[c-]cccc2)nc1.[Cl-]
4 meas.
MOL
3D
#5374
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.O=Cc1c[c-]c(-c2ccccn2)cc1.[Cl-]
4 meas.
MOL
3D
#5373
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Fc1ccc(-c2[c-]cccc2)nc1.[Cl-]
1 meas.
MOL
3D
#5372
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Fc1cccnc1-c1[c-]cccc1.[Cl-]
1 meas.
MOL
3D
#5371
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Fc1c[c-]c(-c2ccccn2)cc1.[Cl-]
4 meas.
MOL
3D
#5370
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Fc1ccc[c-]c1-c1ccccn1.[Cl-]
4 meas.
MOL
3D
#5369
Ir(3)
donors: {"N": 5}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ncc[nH]2)nc1
6 meas.
MOL
3D
#5368
Ir(3)
donors: {"N": 5}
Cc1ccnc(-c2cc(CN)ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
1 meas.
MOL
3D
#5367
Ir(3)
donors: {"N": 5, "O": 1}
COc1cc(C(C)OC(=O)NCc2ccnc(-c3cc(C)ccn3)c2)c([N+](=O)[O-])cc1OCc1cn(CCOCCOCCO)nn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-...
1 meas.
MOL
3D
#5366
Ir(3)
donors: {"N": 4}
CC(C)COC(=O)c1ccnc(-c2cc(C(=O)OCC(C)C)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
5 meas.
MOL
3D
#5365
Ir(3)
donors: {"N": 4}
CCCCOC(=O)c1ccnc(-c2cc(C(=O)OCCCC)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
5 meas.
MOL
3D
#5364
Ir(3)
donors: {"N": 4}
CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
5 meas.
MOL
3D
#5363
Ir(3)
donors: {"N": 4}
COC(=O)c1ccnc(-c2cc(C(=O)OC)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1
5 meas.
MOL
3D
#5362
Ir(3)
donors: {"N": 4, "O": 1}
Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1
5 meas.
MOL
3D
#5361
Ir(3)
donors: {"N": 4}
CC(C)COC(=O)c1ccnc(-c2cc(C(=O)OCC(C)C)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5360
Ir(3)
donors: {"N": 4}
CCCCOC(=O)c1ccnc(-c2cc(C(=O)OCCCC)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5359
Ir(3)
donors: {"N": 4}
CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
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