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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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#1808
Ru(2)
donors: {"O": 2}
CCCOC(=O)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C
25 meas.
MOL
3D
#1807
Ru(2)
CCCc1ccccc1.Cc1c(C)c(C)[c-](C)c1C
13 meas.
MOL
3D
#1806
Ru(2)
CCc1ccccc1.Cc1c(C)c(C)[c-](C)c1C
13 meas.
MOL
3D
#1805
Ru(2)
Cc1c(C)c(C)[c-](C)c1C.c1ccccc1
13 meas.
MOL
3D
#1804
Ru(2)
donors: {"N": 5}
Brc1ccc2[nH]c3c(c2c1)C/C(=N\Cc1ccccn1)Nc1ccccc1-3.O=Cc1ccc(OCC(=O)NCc2ccccc2)cc1.[Cl-]
5 meas.
MOL
3D
#1803
Ru(2)
donors: {"N": 5}
O=C1Cc2c([nH]c3ccc(/N=C/c4ccccn4)cc23)-c2ccccc2N1.O=Cc1ccc(OCC(=O)NCc2ccccc2)cc1.[Cl-]
5 meas.
MOL
3D
#1802
Ru(2)
donors: {"N": 6}
COCc1cccc2nc(-c3n[nH]c4ncc(Br)cc34)[nH]c12.O=Cc1ccc(OCC(=O)NCc2ccccc2)cc1.[Cl-]
5 meas.
MOL
3D
#1801
Ru(2)
donors: {"N": 6}
Brc1cnc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.O=Cc1ccc(OCC(=O)NCc2ccccc2)cc1.[Cl-]
5 meas.
MOL
3D
#1800
Ru(2)
donors: {"N": 6}
O=Cc1ccc(OCC(=O)NCc2ccccc2)cc1.[Cl-].c1ccc2[nH]c(-c3n[nH]c4ncccc34)nc2c1
5 meas.
MOL
3D
#1799
Ru(2)
donors: {"N": 6}
C1=CCCC=CCC1.CN(C)C(=S)N(C)C.[Cl-].c1cnc2c(c1)c1nccnc1c1cccnc12
2 meas.
MOL
3D
#1798
Ru(2)
donors: {"N": 4}
C1=CCCC=CCC1.CN(C)C(=S)N(C)C.Cc1c(C)c2cccnc2c2ncccc12.[Cl-]
2 meas.
MOL
3D
#1797
Ru(2)
donors: {"N": 4}
C1=CCCC=CCC1.CN(C)C(=S)N(C)C.[Cl-].c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#1796
Ru(2)
donors: {"N": 2}
C1=CCCC=CCC1.NCCN.[Cl-].[Cl-]
2 meas.
MOL
3D
#1795
Ru(2)
donors: {"N": 2}
C1=CCCC=CCC1.[Cl-].[Cl-].c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#1794
Ru(2)
donors: {"N": 2}
C1=CCCC=CCC1.[Cl-].[Cl-].c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#1793
Ru(2)
donors: {"N": 1, "P": 1}
O=C1C=CC(=O)N1Cc1ccccc1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#1792
Ru(2)
donors: {"O": 6, "P": 1, "N": 1}
C1CCC2(CC1)O[C@H]1O[C@@H]3C4CO[P@](O4)O[C@@H]3[C@H]1O2.O=C1C=CC(=O)N1Cc1ccccc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1791
Ru(2)
donors: {"O": 6, "P": 1, "N": 1}
CC1(C)O[C@H]2O[C@@H]3C4CO[P@](O4)O[C@@H]3[C@H]2O1.O=C1C=CC(=O)N1Cc1ccccc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1790
Ru(2)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.O=C1C=CC(=O)N1Cc1ccccc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1789
Ru(2)
donors: {"N": 2, "O": 1}
CCn1cc(C(=O)[O-])c(=S)c2ccc(C)nc21.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1788
Ru(2)
donors: {"N": 3}
CCC(=O)c1sc(NN=Cc2cccc(Cl)c2)nc1C.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1787
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Clc1cccc(C=NNc2nc(-c3ccccc3)cs2)c1.[Cl-]
4 meas.
MOL
3D
#1786
Ru(2)
donors: {"N": 3}
CC(=O)c1sc(NN=Cc2cccc(Cl)c2)nc1C.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1785
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1csc(NN=Cc2cccc(Cl)c2)n1.[Cl-]
4 meas.
MOL
3D
#1784
Ru(2)
donors: {"N": 3}
COc1ccc(C=NNc2nc(C)c(C(C)=O)s2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1783
Ru(2)
donors: {"N": 3}
CCC(=O)c1sc(NN=Cc2ccc(OC)cc2)nc1C.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1782
Ru(2)
donors: {"N": 3}
COc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1781
Ru(2)
donors: {"N": 3}
COc1ccc(C=NNc2nc(C)cs2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1780
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Oc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1.[Cl-]
4 meas.
MOL
3D
#1779
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1csc(NN=Cc2ccc(O)cc2)n1.[Cl-]
4 meas.
MOL
3D
#1778
Ru(2)
donors: {"N": 3}
CCC(=O)c1sc(NN=Cc2ccc(Cl)cc2Cl)nc1C.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1777
Ru(2)
donors: {"N": 3}
CC(=O)c1sc(NN=Cc2ccc(Cl)cc2Cl)nc1C.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1776
Ru(2)
donors: {"N": 3}
CCOC(=O)Cc1csc(NN=Cc2ccc(Cl)cc2Cl)n1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1775
Ru(2)
donors: {"N": 3}
CC(=O)c1sc(NN=Cc2ccccc2)nc1C.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1774
Ru(2)
donors: {"N": 3}
C(=NNc1nc(-c2ccccc2)cs1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1773
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1csc(NN=Cc2ccccc2)n1.[Cl-]
4 meas.
MOL
3D
#1772
Ru(2)
donors: {"N": 6}
c1cnc2c(c1)c1nc3ccc4nccnc4c3nc1c1cccnc12.c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
5 meas.
MOL
3D
#1771
Ru(2)
donors: {"N": 6}
c1cnc2c(c1)c1nc3ccc4nccnc4c3nc1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#1770
Ru(2)
donors: {"N": 2}
N.NCCN.c1ccc(-c2ccccc2)cc1
3 meas.
MOL
3D
#1769
Ru(2)
donors: {"N": 3}
NCCNCCN.c1ccc(-c2ccccc2)cc1
3 meas.
MOL
3D
#1768
Ru(2)
donors: {"N": 3}
NCCNCCN.c1ccccc1
3 meas.
MOL
3D
#1767
Ru(2)
donors: {"N": 2}
N.N.[Cl-].c1ccc(-c2ccccc2)cc1
3 meas.
MOL
3D
#1766
Ru(2)
donors: {"N": 2}
N.N.[Cl-].c1ccccc1
3 meas.
MOL
3D
#1765
Ru(2)
donors: {"N": 3}
N.N.N.c1ccc(-c2ccccc2)cc1
3 meas.
MOL
3D
#1764
Ru(2)
donors: {"N": 3}
N.N.N.c1ccccc1
3 meas.
MOL
3D
#1763
Ru(2)
donors: {"N": 2}
CC(C)CCOC(=O)C(CC1CCCCC1)NCCNC(CC1CCCCC1)C(=O)OCCC(C)C.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#1762
Ru(2)
donors: {"N": 2}
CC(C)COC(=O)C(CC1CCCCC1)NCCNC(CC1CCCCC1)C(=O)OCC(C)C.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#1761
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C1C=CC(=O)N1Cc1ccncc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1760
Ru(2)
donors: {"O": 2, "N": 3}
Cc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-].O=C1C=CC(=O)N1c1ccc2cn[nH]c2c1
3 meas.
MOL
3D
#1759
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C1C=CC(=O)N1c1ccc2cn[nH]c2c1.[I-].[I-]
3 meas.
MOL
3D
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106/142 (7058 total)