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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
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#5458
Ir(3)
donors: {"O": 1, "N": 5}
COc1ccc(C(=O)[O-])nc1.Cn1[c-][n+](-c2[c-]cc(C#N)cc2)cc1.Cn1[c-][n+](-c2[c-]cc(C#N)cc2)cc1
2 meas.
MOL
3D
#5457
Ir(3)
donors: {"O": 1, "N": 3}
COc1ccc(C(=O)[O-])nc1.Cn1[c-][n+](-c2[c-]cc(C(F)(F)F)cc2)cc1.Cn1[c-][n+](-c2[c-]cc(C(F)(F)F)cc2)cc1
2 meas.
MOL
3D
#5456
Ir(3)
donors: {"O": 1, "N": 3}
COc1ccc(C(=O)[O-])nc1.Cn1[c-][n+](-c2[c-]cccc2)cc1.Cn1[c-][n+](-c2[c-]cccc2)cc1
2 meas.
MOL
3D
#5455
Ir(3)
donors: {"O": 1, "N": 2}
CC(=O)/C=C(/C)[O-].O=Cc1c[c-]c(-c2ccccn2)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1
1 meas.
MOL
3D
#5454
Ir(3)
donors: {"N": 7}
CCCCNCc1c[c-]c(-c2ccccn2)cc1.CCCCNCc1c[c-]c(-c2ccccn2)cc1.Cc1ccnc(-c2cc(C(=O)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)...
1 meas.
MOL
3D
#5453
Ir(3)
donors: {"N": 6}
Cc1ccnc(-c2cc(C(=O)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccn2)c1.O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N...
1 meas.
MOL
3D
#5452
Ir(3)
donors: {"N": 5}
Cc1ccnc(-c2cc(C(=O)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccn2)c1.O=Cc1c[c-]c(-c2ccccn2)cc1.O=Cc1...
1 meas.
MOL
3D
#5451
Ir(3)
donors: {"N": 5}
Cc1ccnc(-c2cc(C(=O)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc...
1 meas.
MOL
3D
#5450
Ir(3)
donors: {"N": 8}
Cc1ccnc(-c2cc(-c3nnc(-c4ccccc4)nn3)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#5449
Ir(3)
donors: {"N": 1, "P": 2}
CC(C)N(C(C)C)P(=O)(c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
4 meas.
MOL
3D
#5448
Ir(3)
donors: {"N": 1, "P": 2}
CC(C)N(C(C)C)P(=O)(c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
4 meas.
MOL
3D
#5447
Ir(3)
donors: {"N": 1, "P": 2}
CC(C)N(C(C)C)P(=O)(c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#5446
Ir(3)
donors: {"N": 1, "P": 1}
C(=N/CCc1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
1 meas.
MOL
3D
#5445
Ir(3)
donors: {"N": 1, "P": 1}
C(=N/C1CCCCC1)\c1ccccc1P(c1ccccc1)c1ccccc1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
1 meas.
MOL
3D
#5444
Ir(3)
donors: {"N": 1, "P": 1}
C(=N/CCc1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5443
Ir(3)
donors: {"N": 1, "P": 1}
C(=N/Cc1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5442
Ir(3)
donors: {"N": 1, "P": 1}
C(=N/C1CCCCC1)\c1ccccc1P(c1ccccc1)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5441
Ir(3)
donors: {"N": 1, "P": 1}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1P(c1ccccc1)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5440
Ir(3)
donors: {"N": 1, "P": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1cccc(C)c1/N=C/c1ccccc1P(c1ccccc1)c1ccccc1.[Cl-]
1 meas.
MOL
3D
#5439
Ir(3)
donors: {"N": 1, "P": 1}
C(=N/c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5438
Ir(3)
donors: {"N": 3}
CC(C)c1ccc(-n2[c-]c(-c3ccccn3)[n+](C)n2)c(C(C)C)c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
5 meas.
MOL
3D
#5437
Ir(3)
donors: {"N": 3}
C[n+]1nn(-c2ccc(C(F)(F)F)cc2)[c-]c1-c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5436
Ir(3)
donors: {"N": 3}
COc1ccc(-n2[c-]c(-c3ccccn3)[n+](C)n2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5435
Ir(3)
donors: {"N": 3}
C[n+]1nn(-c2ccccc2)[c-]c1-c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
5 meas.
MOL
3D
#5434
Ir(3)
donors: {"N": 3}
C[n+]1nn(-c2ccccn2)[c-]c1-c1ccc(Br)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5433
Ir(3)
donors: {"N": 1, "O": 1}
Cc1c(C)c(C)[c-](C)c1C.O=Nc1c([O-])ccc2ccccc12.[Cl-]
6 meas.
MOL
3D
#5432
Ir(3)
donors: {"O": 1, "N": 2}
Cc1c(C)c(C)[c-](C)c1C.O=[N+]([O-])c1cc2cccnc2c2ncccc12.[Cl-]
3 meas.
MOL
3D
#5431
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Clc1cc2cccnc2c2ncccc12.[Cl-]
3 meas.
MOL
3D
#5430
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c2cccnc2c2ncccc12.[Cl-]
3 meas.
MOL
3D
#5429
Ir(3)
donors: {"N": 6}
C1=CC2CC1CC2c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
10 meas.
MOL
3D
#5428
Ir(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[O-]c1ccccc1/C=N/c1ccc(C(F)(F)F)cc1
2 meas.
MOL
3D
#5427
Ir(3)
donors: {"N": 8}
Nc1nc(N)nc(-c2ccccn2)n1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
7 meas.
MOL
3D
#5426
Ir(3)
donors: {"N": 8}
Nc1nc(N)nc(-c2ccccn2)n1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
7 meas.
MOL
3D
#5425
Ir(3)
donors: {"N": 8}
Nc1nc(N)nc(-c2ccccn2)n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
MOL
3D
#5424
Ir(3)
donors: {"O": 1, "N": 2}
CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
1 meas.
MOL
3D
#5423
Ir(3)
donors: {"N": 8}
[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc2[nH]c(-c3ccnc(-c4cc(-c5nc6ccccc6[nH]5)ccn4)c3)nc2c1
5 meas.
MOL
3D
#5422
Ir(3)
donors: {"N": 8}
[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.c1ccc2[nH]c(-c3ccnc(-c4cc(-c5nc6ccccc6[nH]5)ccn4)c3)nc2c1
5 meas.
MOL
3D
#5421
Ir(3)
donors: {"N": 8}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2[nH]c(-c3ccnc(-c4cc(-c5nc6ccccc6[nH]5)ccn4)c3)nc2c1
5 meas.
MOL
3D
#5420
Ir(3)
donors: {"O": 1, "N": 6}
Cc1cc(S(=O)(=O)[O-])cc(C)c1/N=C/c1ccccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
3 meas.
MOL
3D
#5419
Ir(3)
donors: {"O": 1, "N": 4}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5418
Ir(3)
donors: {"O": 1, "N": 4}
CCc1cc(S(=O)(=O)[O-])cc(CC)c1/N=C/c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5417
Ir(3)
donors: {"O": 1, "N": 4}
Cc1cc(S(=O)(=O)[O-])cc(C)c1/N=C/c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#5416
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(Oc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1
5 meas.
MOL
3D
#5415
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(Oc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1
5 meas.
MOL
3D
#5414
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(Sc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
3 meas.
MOL
3D
#5413
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
7 meas.
MOL
3D
#5412
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc([S+](c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
3 meas.
MOL
3D
#5411
Ir(3)
donors: {"N": 6}
C(#Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5410
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
5 meas.
MOL
3D
#5409
Ir(3)
donors: {"N": 6}
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNc1ccnc(-c2ccccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
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33/142 (7058 total)