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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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#6758
Rh(3)
donors: {"N": 6}
CC(=O)SCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CC(=O)SCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
1 meas.
MOL
3D
#6757
Rh(3)
donors: {"N": 2}
C/C(=N\O)c1nccs1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6756
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.O/N=C(\c1ccccc1)c1ccccn1.[Cl-]
2 meas.
MOL
3D
#6755
Rh(3)
donors: {"N": 3, "O": 1}
Cc1c(C)c(C)[c-](C)c1C.N#C/C(=N\[O-])c1ccccn1.[Cl-]
2 meas.
MOL
3D
#6754
Rh(3)
donors: {"O": 1, "N": 2}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1ccc2ccccc2n1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#6753
Rh(3)
donors: {"O": 1, "N": 1, "F": 4}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1ccccn1.Cc1c(C)c(C)[c-](-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C.[Cl-]
3 meas.
MOL
3D
#6752
Rh(3)
donors: {"O": 1, "N": 2, "F": 1}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1ccccn1.Cc1c(C)c(C)[c-](-c2ccccc2F)c1C.[Cl-]
3 meas.
MOL
3D
#6751
Rh(3)
donors: {"O": 1, "N": 2}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#6750
Rh(3)
donors: {"N": 3}
C/C(=N\N=c1/[n-]c2ccccc2s1)c1cc2c(ccc3ccccc32)oc1=O.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6749
Rh(3)
donors: {"N": 4}
CCN(CC)c1ccc2cc(/C(C)=N/N=c3\[n-]c4ccccc4s3)c(=O)oc2c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6748
Rh(3)
donors: {"N": 3}
CCOc1cccc2cc(/C(C)=N/N=c3\[n-]c4ccccc4s3)c(=O)oc12.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6747
Rh(3)
donors: {"N": 3}
C/C(=N\N=c1/[n-]c2ccccc2s1)c1cc2ccccc2oc1=O.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6746
Rh(3)
donors: {"N": 5, "P": 1, "S": 1}
C1N2CN3CN1CP(C2)C3.CCS(=O)(=O)/N=C(\[S-])Nc1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#6745
Rh(3)
donors: {"N": 5, "P": 1, "S": 1}
C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2ccccc2)cc1.[Cl-]
4 meas.
MOL
3D
#6744
Rh(3)
donors: {"N": 2, "S": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(S(=O)(=O)/N=C(\[S-])Nc2ccccc2)cc1.[Cl-]
4 meas.
MOL
3D
#6743
Rh(3)
donors: {"N": 3}
C(=N\N=c1/[n-]c2ccccc2s1)\c1ccc2ccc3cccc4ccc1c2c34.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#6742
Rh(3)
donors: {"N": 3}
C(=N\N=c1/[n-]c2ccccc2s1)\c1ccc2c(c1)Cc1ccccc1-2.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#6741
Rh(3)
donors: {"N": 3}
C(=N\N=c1/[n-]c2ccccc2s1)\c1c2ccccc2cc2ccccc12.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#6740
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C2CCCCC2)[c-](C)c1C.Cc1ccc(/N=C2\c3cccc4cccc(c34)C2(C)Nc2ccc(C)cc2)cc1.[Cl-]
4 meas.
MOL
3D
#6739
Rh(3)
donors: {"N": 2}
Cc1c(C)c(-c2ccccc2)[c-](C)c1C.Cc1ccc(/N=C2\c3cccc4cccc(c34)C2(C)Nc2ccc(C)cc2)cc1.[Cl-]
4 meas.
MOL
3D
#6738
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(/N=C2\c3cccc4cccc(c34)C2(CC(C)C)Nc2ccc(C)cc2)cc1.[Cl-]
4 meas.
MOL
3D
#6737
Rh(3)
donors: {"N": 2}
CCC1(Nc2ccc(C)cc2)/C(=N/c2ccc(C)cc2)c2cccc3cccc1c23.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
4 meas.
MOL
3D
#6736
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccc(/N=C2\c3cccc4cccc(c34)C2(C)Nc2ccc(C)cc2)cc1.[Cl-]
4 meas.
MOL
3D
#6735
Rh(3)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)[c-](C)c1C.Cc1c([O-])c(=S)ccn1Cc1ccccc1
3 meas.
MOL
3D
#6734
Rh(3)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)[c-](C)c1C.Cc1c([O-])c(=S)ccn1C
3 meas.
MOL
3D
#6733
Rh(3)
donors: {"O": 1, "N": 3}
Cc1c(C)c(C)[c-](C)c1C.Cc1c([O-])c(=S)ccn1Cc1ccccc1.Cn1ccnc1
3 meas.
MOL
3D
#6732
Rh(3)
donors: {"O": 1, "N": 3}
Cc1c(C)c(C)[c-](C)c1C.Cc1c([O-])c(=S)ccn1C.Cn1ccnc1
3 meas.
MOL
3D
#6731
Rh(3)
donors: {"O": 1, "N": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[O-]/C(=N\N=C\c1ccc2c(c1)Cc1ccccc1-2)c1ccc(O)cc1
1 meas.
MOL
3D
#6730
Rh(3)
donors: {"O": 1, "N": 2}
COc1cccc(/C([O-])=N/N=C/c2ccc3c(c2)Cc2ccccc2-3)c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
1 meas.
MOL
3D
#6729
Rh(3)
donors: {"O": 1, "N": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[O-]/C(=N\N=C\c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1
1 meas.
MOL
3D
#6728
Rh(3)
donors: {"O": 1}
CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
5 meas.
MOL
3D
#6727
Rh(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.O=C(OC[C@H]1O[C@@H](n2cc(-c3ccccn3)nn2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1c...
1 meas.
MOL
3D
#6726
Rh(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(C(=NN=C2c3cccnc3-c3ncccc32)c2ccccc2)cc1
1 meas.
MOL
3D
#6725
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.Clc1ccc(C2=NN(c3nc4ccccc4s3)C(c3ccccc3)C2)cc1.[Cl-]
2 meas.
MOL
3D
#6724
Rh(3)
donors: {"N": 4}
CN(C)c1ccc(C2=NN(c3nc4ccccc4s3)C(c3ccccc3)C2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6723
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(C2=NN(c3nc4ccccc4s3)C(c3ccccc3)C2)cc1
2 meas.
MOL
3D
#6722
Rh(3)
donors: {"O": 1, "N": 1, "P": 1, "F": 4}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1ccccc1.Cc1c(C)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[c-](C)c1C.[Cl-...
3 meas.
MOL
3D
#6721
Rh(3)
donors: {"O": 1, "N": 1, "P": 1}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1ccccc1.Cc1c(C)c(C2CCCCC2)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#6720
Rh(3)
donors: {"O": 1, "N": 1, "P": 1}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1N=Cc1ccccc1P(c1ccccc1)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#6719
Os(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[I-].[I-].[c-]1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1
3 meas.
MOL
3D
#6718
Os(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[Br-].[Br-].[c-]1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1
3 meas.
MOL
3D
#6717
Os(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].[c-]1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1
3 meas.
MOL
3D
#6716
Os(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cn1[c-][n+](C)c2ccccc21.[I-].[I-]
3 meas.
MOL
3D
#6715
Os(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cn1[c-][n+](C)c2ccccc21.[Br-].[Br-]
3 meas.
MOL
3D
#6714
Os(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cn1[c-][n+](C)c2ccccc21.[Cl-].[Cl-]
3 meas.
MOL
3D
#6713
Os(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=C(CCCCCCC(=O)Nc1ccc(NC(=S)c2ccccn2)cc1)NO.[Cl-]
4 meas.
MOL
3D
#6712
Os(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=C(CCC(=O)Nc1ccc(NC(=S)c2ccccn2)cc1)NO.[Cl-]
4 meas.
MOL
3D
#6711
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(O)CCCCCCC(=O)Nc1ccc(NC(=S)c2ccccn2)cc1.[Cl-]
4 meas.
MOL
3D
#6710
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(O)CCC(=O)Nc1ccc(NC(=S)c2ccccn2)cc1.[Cl-]
4 meas.
MOL
3D
#6709
Os(2)
donors: {"N": 8}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc2cc(-c3cc4nc5c6cccnc6c6ncccc6...
6 meas.
MOL
3D
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7/142 (7058 total)