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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
Has 3D struct
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#5308
Ir(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1ccnc(-c2cc(C)ccn2)c1
2 meas.
MOL
3D
#5307
Ir(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cccc(-c2cccc(C)n2)n1
2 meas.
MOL
3D
#5306
Ir(3)
donors: {"N": 4, "P": 2}
[c-]1cccc2c3ccccc3n(-c3ccccn3)c12.[c-]1cccc2c3ccccc3n(-c3ccccn3)c12.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#5305
Ir(3)
donors: {"N": 6}
[c-]1cccc2c3ccccc3n(-c3ccccn3)c12.[c-]1cccc2c3ccccc3n(-c3ccccn3)c12.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#5304
Ir(3)
donors: {"N": 8}
[c-]1cccc2c3ccccc3n(-c3ccccn3)c12.[c-]1cccc2c3ccccc3n(-c3ccccn3)c12.c1c[nH]c(-c2ncc[nH]2)n1
1 meas.
MOL
3D
#5303
Ir(3)
donors: {"N": 4}
Clc1ccc(-c2[c-]cccc2)nc1.Clc1ccc(-c2[c-]cccc2)nc1.Clc1ccnc(-c2cc(Cl)ccn2)c1
2 meas.
MOL
3D
#5302
Ir(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Clc1ccnc(-c2cc(Cl)ccn2)c1
2 meas.
MOL
3D
#5301
Ir(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccnc(-c2cc(C(=O)ONCCC(=O)N3Cc4ccccc4C#Cc4ccccc43)ccn2)c1.[Cl-]
1 meas.
MOL
3D
#5300
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Cl-]
1 meas.
MOL
3D
#5299
Ir(3)
donors: {"N": 6}
Cc1nc2ccccc2c(=O)n1/N=C/c1ccc2ccccc2n1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
1 meas.
MOL
3D
#5298
Ir(3)
donors: {"N": 6}
Cc1nc2ccccc2c(=O)n1/N=C/c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#5297
Ir(3)
donors: {"N": 4}
CCCC[n+]1[c-]n(Cn2[c-][n+](CCCC)cc2)cc1.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12
5 meas.
MOL
3D
#5296
Ir(3)
donors: {"N": 4}
CCCC[n+]1[c-]n(Cn2[c-][n+](CCCC)cc2)cc1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
5 meas.
MOL
3D
#5295
Ir(3)
donors: {"N": 4}
C[n+]1[c-]n(Cn2[c-][n+](C)cc2)cc1.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12
5 meas.
MOL
3D
#5294
Ir(3)
donors: {"N": 4}
C[n+]1[c-]n(Cn2[c-][n+](C)cc2)cc1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
5 meas.
MOL
3D
#5293
Ir(3)
donors: {"N": 6}
Cc1ccc2[nH]c(=O)c(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
2 meas.
MOL
3D
#5292
Ir(3)
donors: {"N": 6}
COc1ccc2[nH]c(=O)c(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
2 meas.
MOL
3D
#5291
Ir(3)
donors: {"N": 6}
COc1ccc2cc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)c(SC)nc2c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
2 meas.
MOL
3D
#5290
Ir(3)
donors: {"N": 1}
CC[C@]12CCC3C4CCC(=O)C=C4CCC3C1C[C@@H](C#Cc1ccnc(-c3[c-]cccc3)c1)[C@@H]2O.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#5289
Ir(3)
donors: {"N": 4}
CCN(CC)CC(=O)Nc1c(C)cccc1C.Cc1c(C)c(C)[c-](C)c1C.[N-]=C=Nc1ccc(-c2ccc(C#Cc3cc4cccc5ccc6cccc3c6c54)cc2)cc1
2 meas.
MOL
3D
#5288
Ir(3)
donors: {"N": 4}
CCN(CC)CC(=O)Nc1c(C)cccc1C.Cc1c(C)c(C)[c-](C)c1C.[N-]=C=Nc1ccc(C#Cc2cc3cccc4ccc5cccc2c5c43)cc1
2 meas.
MOL
3D
#5287
Ir(3)
donors: {"N": 4}
CC#N.CC#N.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5286
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1cn[nH]c1.c1cn[nH]c1
5 meas.
MOL
3D
#5285
Ir(3)
donors: {"N": 6}
Cn1ccnc1.Cn1ccnc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#5284
Ir(3)
donors: {"P": 2}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-].c1ccc(P(c2ccccc2)c2cccc3cccc(P(c4ccccc4)c4ccccc4)c23)cc1
2 meas.
MOL
3D
#5283
Ir(3)
donors: {"P": 2}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#5282
Ir(3)
donors: {"P": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(P(c2ccccc2)c2cccc3cccc(P(c4ccccc4)c4ccccc4)c23)cc1
2 meas.
MOL
3D
#5281
Ir(3)
donors: {"P": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#5280
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-].[c-]1n(-c2ccccc2)cc[n+]1Cn1[c-][n+](-c2ccccc2)cc1
1 meas.
MOL
3D
#5279
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].[c-]1n(-c2ccccc2)cc[n+]1Cn1[c-][n+](-c2ccccc2)cc1
1 meas.
MOL
3D
#5278
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[c-]1n(-c2ccccc2)cc[n+]1Cn1[c-][n+](-c2ccccc2)cc1
1 meas.
MOL
3D
#5277
Ir(3)
donors: {"N": 2}
CCCn1[c-][n+](Cn2[c-][n+](CCC)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
1 meas.
MOL
3D
#5276
Ir(3)
donors: {"N": 2}
CCCn1[c-][n+](Cn2[c-][n+](CCC)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
1 meas.
MOL
3D
#5275
Ir(3)
donors: {"N": 2}
CCCn1[c-][n+](Cn2[c-][n+](CCC)cc2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5274
Ir(3)
donors: {"N": 2}
CCn1[c-][n+](Cn2[c-][n+](CC)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
1 meas.
MOL
3D
#5273
Ir(3)
donors: {"N": 2}
CCn1[c-][n+](Cn2[c-][n+](CC)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
1 meas.
MOL
3D
#5272
Ir(3)
donors: {"N": 2}
CCn1[c-][n+](Cn2[c-][n+](CC)cc2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5271
Ir(3)
donors: {"N": 2}
C[n+]1[c-]n(Cn2[c-][n+](C)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
1 meas.
MOL
3D
#5270
Ir(3)
donors: {"N": 2}
C[n+]1[c-]n(Cn2[c-][n+](C)cc2)cc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
1 meas.
MOL
3D
#5269
Ir(3)
donors: {"N": 2}
C[n+]1[c-]n(Cn2[c-][n+](C)cc2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#5268
Ir(3)
donors: {"N": 6}
CC(C)CCn1c(-c2[c-]cccc2)nc2ccccc21.CC(C)CCn1c(-c2[c-]cccc2)nc2ccccc21.Cc1ccnc(-c2cc(C)ccn2)c1
2 meas.
MOL
3D
#5267
Ir(3)
donors: {"N": 6}
CC(C)CCn1c(-c2[c-]cccc2)nc2ccccc21.CC(C)CCn1c(-c2[c-]cccc2)nc2ccccc21.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#5266
Ir(3)
donors: {"N": 6}
CCCCCCCCCCn1c(-c2[c-]cccc2)nc2ccccc21.CCCCCCCCCCn1c(-c2[c-]cccc2)nc2ccccc21.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#5265
Ir(3)
donors: {"N": 6}
CCCCCCCCCCn1c(-c2[c-]cccc2)nc2ccccc21.CCCCCCCCCCn1c(-c2[c-]cccc2)nc2ccccc21.Cc1ccnc(-c2cc(C)ccn2)c1
2 meas.
MOL
3D
#5264
Ir(3)
donors: {"N": 6}
CCCCCCCCCCn1c(-c2[c-]cccc2)nc2ccccc21.CCCCCCCCCCn1c(-c2[c-]cccc2)nc2ccccc21.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#5263
Ir(3)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2ccccc2n1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
4 meas.
MOL
3D
#5262
Ir(3)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2ccccc2n1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#5261
Ir(3)
donors: {"N": 2}
C/C(=N\c1c(C(C)C)cccc1C(C)C)c1ccccn1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
1 meas.
MOL
3D
#5260
Ir(3)
donors: {"N": 2}
C/C(=N\c1c(C(C)C)cccc1C(C)C)c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#5259
Ir(3)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]
4 meas.
MOL
3D
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36/142 (7058 total)