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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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#6508
Os(2)
donors: {"N": 3}
Oc1ccc(/N=N/c2ccccn2)cc1.[I-].c1ccc(-c2ccccc2)cc1
14 meas.
MOL
3D
#6507
Os(2)
donors: {"N": 3}
[I-].c1ccc(-c2ccccc2)cc1.c1ccc(/N=N/c2ccccn2)cc1
1 meas.
MOL
3D
#6506
Os(2)
donors: {"N": 3}
CCOc1ccc(/N=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[OH-]
2 meas.
MOL
3D
#6505
Os(2)
donors: {"N": 3}
CCOc1ccc(/N=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#6504
Os(2)
donors: {"N": 3}
CCOc1ccc(/N=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[I-]
9 meas.
MOL
3D
#6503
Os(2)
donors: {"O": 1, "N": 1}
OCCCc1ccccc1.[Cl-].[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#6502
Os(2)
donors: {"O": 2, "N": 1}
CCOC(=O)CCc1ccccc1.[Cl-].[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#6501
Os(2)
donors: {"O": 2, "N": 1}
CCOC(=O)Cc1ccccc1.[Cl-].[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#6500
Os(2)
donors: {"O": 1, "N": 1}
O=C([O-])CCc1ccccc1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#6499
Os(2)
donors: {"O": 1, "N": 1}
O=C([O-])Cc1ccccc1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#6498
Os(2)
donors: {"N": 6}
CCCCn1c(-c2[c-]ccc(-c3ccc(C(F)(F)F)cc3)c2)nc2cc(C(=O)OC)ccc21.c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12
9 meas.
MOL
3D
#6497
Os(2)
donors: {"N": 6}
CCCCn1c(-c2[c-]ccc(-c3ccc(C(F)(F)F)cc3)c2)nc2cc(C(=O)OC)ccc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
9 meas.
MOL
3D
#6496
Os(2)
donors: {"N": 6}
CCCCn1c(-c2[c-]ccc(-c3ccc(N(C)C)cc3)c2)nc2cc(C(=O)OC)ccc21.c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12
9 meas.
MOL
3D
#6495
Os(2)
donors: {"N": 7}
CCCCn1c(-c2[c-]ccc(-c3ccc(N(C)C)cc3)c2)nc2cc(C(=O)OC)ccc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
9 meas.
MOL
3D
#6494
Os(2)
donors: {"N": 6}
CCCCn1c(-c2[c-]cccc2)nc2cc(C(=O)OC)ccc21.c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12
9 meas.
MOL
3D
#6493
Os(2)
donors: {"N": 6}
CCCCn1c(-c2[c-]cccc2)nc2cc(C(=O)OC)ccc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
9 meas.
MOL
3D
#6492
Os(2)
donors: {"N": 1}
COc1c[c-]c(-c2cscn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6491
Os(2)
donors: {"N": 1}
Cc1c[c-]c(-c2cscn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6490
Os(2)
donors: {"N": 1}
CS(=O)(=O)c1c[c-]c(-c2cscn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6489
Os(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Fc1c[c-]c(-c2cscn2)cc1.[Cl-]
3 meas.
MOL
3D
#6488
Os(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[c-]1ccccc1-c1cscn1
3 meas.
MOL
3D
#6487
Os(2)
donors: {"N": 2}
Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]([N-]CCCc2ccccc2)c2ccccc2)cc1
7 meas.
MOL
3D
#6486
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]([NH-])c2ccccc2)cc1
12 meas.
MOL
3D
#6485
Os(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[c-]1cc2cccc3ccc4ccc(P(c5ccccc5)c5ccccc5)c1c4c23
1 meas.
MOL
3D
#6484
Os(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
1 meas.
MOL
3D
#6483
Os(2)
donors: {"P": 1, "S": 1, "O": 1}
CC(C)P(c1ccc2ccc3cccc4c[c-]c1c2c43)C(C)C.CS(C)=O.Cc1ccc(C(C)C)cc1
4 meas.
MOL
3D
#6482
Os(2)
donors: {"P": 1}
CC(C)P(c1ccc2ccc3cccc4c[c-]c1c2c43)C(C)C.Cc1ccc(C(C)C)cc1.[I-]
1 meas.
MOL
3D
#6481
Os(2)
donors: {"P": 1}
CC(C)P(c1ccc2ccc3cccc4c[c-]c1c2c43)C(C)C.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#6480
Os(2)
donors: {"P": 1}
CC(C)P(c1ccc2ccc3cccc4ccc1c2c34)C(C)C.Cc1ccc(C(C)C)cc1.[I-].[I-]
1 meas.
MOL
3D
#6479
Os(2)
donors: {"P": 1}
CC(C)P(c1ccc2ccc3cccc4ccc1c2c34)C(C)C.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#6478
Os(2)
donors: {"N": 5}
CN(C)c1ccc(-n2cc(-c3nc4ccccc4s3)nn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
7 meas.
MOL
3D
#6477
Os(2)
donors: {"O": 1, "N": 4}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc(-n2cc(-c3nc4ccccc4s3)nn2)cc1.[Cl-]
7 meas.
MOL
3D
#6476
Os(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.FC(F)(F)c1ccc(-n2cc(-c3nc4ccccc4s3)nn2)cc1.[Cl-]
7 meas.
MOL
3D
#6475
Os(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Fc1ccc(-n2cc(-c3nc4ccccc4s3)nn2)cc1.[Cl-]
7 meas.
MOL
3D
#6474
Os(2)
donors: {"N": 4}
Cc1ccc(-n2cc(-c3nc4ccccc4s3)nn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
7 meas.
MOL
3D
#6473
Os(2)
donors: {"N": 2}
C(=N\CC/N=C\c1cc2cccc3ccc4cccc1c4c32)\c1cc2cccc3ccc4cccc1c4c32.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#6472
Os(2)
donors: {"N": 2}
C(=N\CC/N=C\c1cc2ccccc2c2ccccc12)\c1cc2ccccc2c2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#6471
Os(2)
donors: {"N": 2}
C(=N\CC/N=C\c1c2ccccc2cc2ccccc12)\c1c2ccccc2cc2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#6470
Os(2)
donors: {"N": 2}
C(=N\CC/N=C\c1ccc2ccccc2c1)\c1ccc2ccccc2c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#6469
Os(2)
donors: {"O": 1}
COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O.[Cl-].c1ccc(-c2ccccc2)cc1
3 meas.
MOL
3D
#6468
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Oc1ccc(/N=C/c2ccccn2)cc1.[I-]
6 meas.
MOL
3D
#6467
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Clc1ccc(/N=N/c2ccccn2)cc1.[I-]
1 meas.
MOL
3D
#6466
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[I-].c1ccc(/N=N/c2ccccn2)cc1
2 meas.
MOL
3D
#6465
Os(2)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[I-]
14 meas.
MOL
3D
#6464
Os(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccc(C)cc2c2[nH]c3ccccc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#6463
Os(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccc(Br)cc2c2[nH]c3ccccc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#6462
Os(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccc(Cl)cc2c2[nH]c3ccccc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#6461
Os(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.Clc1ccc2[nH]/c(=N/N=C\c3ccccn3)c3c4ccccc4[nH]c3c2c1.[Cl-]
3 meas.
MOL
3D
#6460
Os(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccc(F)cc2c2[nH]c3ccccc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6459
Os(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccccc2c2[nH]c3ccccc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
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12/142 (7058 total)