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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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#6708
Os(2)
donors: {"N": 8}
c1ccc(-c2cc3nc4c5cccnc5c5ncccc5c4nc3cc2-c2ccccc2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c...
6 meas.
MOL
3D
#6707
Os(2)
donors: {"N": 8}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc2c(c1)c1ccccc1c1nc3c4cccnc4c4...
6 meas.
MOL
3D
#6706
Os(2)
donors: {"N": 8}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3c...
6 meas.
MOL
3D
#6705
Os(2)
donors: {"N": 8}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
6 meas.
MOL
3D
#6704
Os(2)
donors: {"N": 6}
CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#6703
Os(2)
donors: {"N": 6}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#6702
Os(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#6701
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.OCCOCCOCCOCCOc1ccc(/N=N/c2ccccc2)nc1.[I-]
1 meas.
MOL
3D
#6700
Os(2)
donors: {"N": 3}
CCOCCOCCOCCOc1ccc(/N=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[I-]
1 meas.
MOL
3D
#6699
Os(2)
donors: {"N": 3}
COCCOCCOCCOc1ccc(/N=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[I-]
1 meas.
MOL
3D
#6698
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.OCCOCCOCCOc1ccc(/N=N/c2ccccc2)nc1.[I-]
1 meas.
MOL
3D
#6697
Os(2)
donors: {"N": 3}
CCOCCOCCOc1ccc(/N=N/c2ccccc2)nc1.[I-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6696
Os(2)
donors: {"N": 3}
CCOCCOCCOc1ccc(/N=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[I-]
5 meas.
MOL
3D
#6695
Os(2)
donors: {"N": 3}
COCCOCCOc1ccc(/N=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[I-]
3 meas.
MOL
3D
#6694
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.OCCOCCOc1ccc(/N=N/c2ccccc2)nc1.[I-]
1 meas.
MOL
3D
#6693
Os(2)
donors: {"N": 3}
OCCOc1ccc(/N=N/c2ccccc2)nc1.[I-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6692
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.OCCOc1ccc(/N=N/c2ccccc2)nc1.[I-]
1 meas.
MOL
3D
#6691
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.OCCOc1ccc(/N=N/c2ccccc2)nc1.[Br-]
1 meas.
MOL
3D
#6690
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.OCCOc1ccc(/N=N/c2ccccc2)nc1.[Cl-]
1 meas.
MOL
3D
#6689
Os(2)
donors: {"N": 3}
CC(C)Oc1ccc(/N=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[I-]
3 meas.
MOL
3D
#6688
Os(2)
donors: {"N": 3}
CCCOc1ccc(/N=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[I-]
1 meas.
MOL
3D
#6687
Os(2)
donors: {"N": 3}
CCOc1ccc(/N=N/c2ccccc2)nc1.[I-].c1ccc(-c2ccccc2)cc1
5 meas.
MOL
3D
#6686
Os(2)
donors: {"N": 3}
CCOc1ccc(/N=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[Br-]
1 meas.
MOL
3D
#6685
Os(2)
donors: {"N": 3}
COc1ccc(/N=N/c2ccccc2)nc1.Cc1ccc(C(C)C)cc1.[I-]
1 meas.
MOL
3D
#6684
Os(2)
donors: {"N": 3}
CCCCCCCCCCCCCCCCNC(=O)c1cc2cccnc2c2ncccc12.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#6683
Os(2)
donors: {"N": 2}
CCCCCCCCCCCCCCCCOC(=O)c1cc2cccnc2c2ncccc12.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#6682
Os(2)
donors: {"N": 2, "O": 1}
N#[O+].O=C([O-])[C@H]1CCCN1.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#6681
Os(2)
donors: {"N": 2, "O": 1}
N#[O+].O=C([O-])[C@@H]1CCCN1.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#6680
Os(2)
donors: {"N": 2, "O": 1}
N#[O+].O=C([O-])c1ccccn1.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#6679
Os(2)
donors: {"N": 2, "O": 1}
N#[O+].NCC(=O)[O-].[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#6678
Os(2)
donors: {"O": 1, "N": 3}
CCCC(CCC)C(=O)[O-].Cc1ccc(C(C)C)cc1.c1ccc(Nc2ccccn2)nc1
4 meas.
MOL
3D
#6677
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#6676
Os(2)
donors: {"N": 1, "O": 2}
Cc1ccc(C(C)C)cc1.O=C(CCc1cccnc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(=O)[O-]
3 meas.
MOL
3D
#6675
Os(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.O=C(CCc1cccnc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Cl-].[Cl-]
3 meas.
MOL
3D
#6674
Os(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.O=C(CCc1cccnc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Cl-].[Cl-]
3 meas.
MOL
3D
#6673
Os(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.O=C(CCc1cccnc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Cl-].[Cl-]
3 meas.
MOL
3D
#6672
Os(2)
donors: {"N": 1}
CCCCCCCCCCCCCCCCCCOC(=O)CCc1cccnc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6671
Os(2)
donors: {"N": 1}
CCCCCCCCCCCCOC(=O)CCc1cccnc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6670
Os(2)
donors: {"N": 1}
CCCCCCCCCCOC(=O)CCc1cccnc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6669
Os(2)
donors: {"N": 1}
CCCCCCCCOC(=O)CCc1cccnc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#6668
Os(3)
donors: {"N": 4}
[Cl-].[Cl-].[Cl-].[Cl-].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
6 meas.
MOL
3D
#6667
Os(3)
donors: {"N": 4}
[Cl-].[Cl-].[Cl-].[Cl-].c1c[nH]cn1.c1c[nH]cn1
6 meas.
MOL
3D
#6666
Os(3)
donors: {"N": 4}
[Cl-].[Cl-].[Cl-].[Cl-].c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
6 meas.
MOL
3D
#6665
Os(3)
donors: {"N": 4}
[Cl-].[Cl-].[Cl-].[Cl-].c1cn[nH]c1.c1cn[nH]c1
6 meas.
MOL
3D
#6664
Os(2)
donors: {"N": 2}
Cc1ccc(/N=C/c2ccccn2)cc1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#6663
Os(2)
donors: {"N": 2}
Clc1ccc(/N=C/c2ccccn2)cc1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#6662
Os(2)
donors: {"N": 2}
Fc1ccc(/N=C/c2ccccn2)cc1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#6661
Os(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccccc2c2[nH]c3ccc(Br)cc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6660
Os(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccccc2c2[nH]c3ccc(Cl)cc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#6659
Os(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccccc2c2[nH]c3ccc(C)cc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
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8/142 (7058 total)