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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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Donor atoms
Has 3D struct
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#1908
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[N-]=[N+]=NCc1cc(=O)c([O-])co1
3 meas.
MOL
3D
#1907
Ru(2)
donors: {"N": 6}
Cc1ccc(C(C)C)cc1.O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCC(=O)NCc1ccc2cn[nH]c2c1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1906
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1ccc2cn[nH]c2c1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1905
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc2[nH]ncc2c1
3 meas.
MOL
3D
#1904
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCC(=O)NCc1ccncc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1903
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1ccncc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1902
Ru(2)
donors: {"N": 3, "O": 2, "P": 1}
N/C([O-])=N/N=C1/C(=O)c2ccccc2-c2ccccc21.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#1901
Ru(2)
donors: {"N": 3, "S": 1, "O": 1, "P": 1}
O=C1/C(=N/N=C(\[S-])Nc2ccccc2)c2ccccc2-c2ccccc21.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#1900
Ru(2)
donors: {"N": 3, "S": 1, "O": 1, "P": 1}
CN/C([S-])=N/N=C1/C(=O)c2ccccc2-c2ccccc21.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#1899
Ru(2)
donors: {"N": 3, "S": 1, "O": 1, "P": 1}
N/C([S-])=N/N=C1/C(=O)c2ccccc2-c2ccccc21.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#1898
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc2c(c1)[nH]c1c(-c3ncc[nH]3)nccc12
6 meas.
MOL
3D
#1897
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc2nc(-c3nccc4c3[nH]c3ccccc34)ccc2c1
6 meas.
MOL
3D
#1896
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2nccc3c2[nH]c2ccccc23)nc1
6 meas.
MOL
3D
#1895
Ru(2)
donors: {"N": 4}
[Cl-].c1ccc2c(c1)[nH]c1c(-c3ncc[nH]3)nccc12.c1ccccc1
6 meas.
MOL
3D
#1894
Ru(2)
donors: {"N": 3}
[Cl-].c1ccc2nc(-c3nccc4c3[nH]c3ccccc34)ccc2c1.c1ccccc1
6 meas.
MOL
3D
#1893
Ru(2)
donors: {"N": 3}
[Cl-].c1ccc(-c2nccc3c2[nH]c2ccccc23)nc1.c1ccccc1
6 meas.
MOL
3D
#1892
Ru(2)
donors: {"S": 1, "N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].[S-]/C(=N\N=C(c1ccccc1)c1ccccc1)Nc1ccccc1
3 meas.
MOL
3D
#1891
Ru(2)
donors: {"N": 3}
CNC(=S)NN=C(c1ccccc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1890
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NC(=S)NN=C(c1ccccc1)c1ccccc1.[Cl-]
3 meas.
MOL
3D
#1889
Ru(2)
donors: {"N": 3}
C/C(=N\NC(=S)Nc1ccccc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1888
Ru(2)
donors: {"N": 3}
CNC(=S)N/N=C(\C)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1887
Ru(2)
donors: {"N": 3}
C/C(=N\NC(N)=S)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1886
Ru(2)
donors: {"N": 3}
CC(C)=NNC(=S)Nc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1885
Ru(2)
donors: {"N": 3}
CNC(=S)NN=C(C)C.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1884
Ru(2)
donors: {"N": 3}
CC(C)=NNC(N)=S.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1883
Ru(2)
donors: {"N": 6}
CCOc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1O.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
4 meas.
MOL
3D
#1882
Ru(2)
donors: {"N": 6}
c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
4 meas.
MOL
3D
#1881
Ru(2)
donors: {"N": 6}
c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1.c1ccc(Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
4 meas.
MOL
3D
#1880
Ru(2)
donors: {"N": 8}
O=C(CCCCCCC(=O)Nc1cc2cccnc2c2ncccc12)NO.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc2...
5 meas.
MOL
3D
#1879
Ru(2)
donors: {"N": 8}
O=C(CCCCCCC(=O)Nc1cc2cccnc2c2ncccc12)NO.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#1878
Ru(2)
donors: {"N": 8}
O=C(CCCCCCC(=O)Nc1cc2cccnc2c2ncccc12)NO.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#1877
Ru(2)
donors: {"N": 1, "P": 2}
CC1(C)O[C@H]2[C@@H](O1)[C@@H](C#N)O[C@@H]1OC(C)(C)O[C@@H]12.Clc1ccc(P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.Clc1ccc(P(c2ccc(Cl)c...
1 meas.
MOL
3D
#1876
Ru(2)
donors: {"N": 1, "P": 2}
CC1(C)O[C@H]2[C@@H](O1)[C@@H](C#N)O[C@@H]1OC(C)(C)O[C@@H]12.Fc1ccc(P(c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc(P(c2ccc(F)cc2)c2...
1 meas.
MOL
3D
#1875
Ru(2)
donors: {"N": 1, "P": 2}
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C#N)OC(C)=O.Fc1ccc(P(c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc(P(c2cc...
1 meas.
MOL
3D
#1874
Ru(2)
donors: {"N": 4, "P": 2}
CC1(C)O[C@@H]2[C@@H](CO[C@@]3(c4nnn[nH]4)OC(C)(C)O[C@@H]23)O1.c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1873
Ru(2)
donors: {"N": 4, "P": 2}
CC1(C)O[C@@H]2[C@@H](CO[C@@]3(c4nnn[nH]4)OC(C)(C)O[C@@H]23)O1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2...
2 meas.
MOL
3D
#1872
Ru(2)
donors: {"N": 1, "P": 2}
CC1(C)O[C@@H]2[C@@H](CO[C@@]3(C#N)OC(C)(C)O[C@@H]23)O1.c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1871
Ru(2)
donors: {"N": 1, "P": 2}
CC1(C)O[C@@H]2[C@@H](CO[C@@]3(C#N)OC(C)(C)O[C@@H]23)O1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2cccc...
2 meas.
MOL
3D
#1870
Ru(2)
donors: {"N": 4, "P": 2}
CC1(C)O[C@H]2[C@@H](O1)[C@@H](c1nnn[nH]1)O[C@@H]1OC(C)(C)O[C@@H]12.c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc...
2 meas.
MOL
3D
#1869
Ru(2)
donors: {"N": 4, "P": 2}
CC1(C)O[C@H]2[C@@H](O1)[C@@H](c1nnn[nH]1)O[C@@H]1OC(C)(C)O[C@@H]12.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2c...
2 meas.
MOL
3D
#1868
Ru(2)
donors: {"N": 1, "P": 2}
CC1(C)O[C@H]2[C@@H](O1)[C@@H](C#N)O[C@@H]1OC(C)(C)O[C@@H]12.c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1867
Ru(2)
donors: {"N": 1, "P": 2}
CC1(C)O[C@H]2[C@@H](O1)[C@@H](C#N)O[C@@H]1OC(C)(C)O[C@@H]12.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c...
2 meas.
MOL
3D
#1866
Ru(2)
donors: {"N": 1, "P": 2}
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C#N)OC(C)=O.c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2...
1 meas.
MOL
3D
#1865
Ru(2)
donors: {"N": 1, "P": 2}
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C#N)OC(C)=O.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(...
1 meas.
MOL
3D
#1864
Ru(2)
donors: {"N": 1, "P": 2}
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C#N)OC(C)=O.c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)...
1 meas.
MOL
3D
#1863
Ru(2)
donors: {"N": 1, "P": 2}
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C#N)OC(C)=O.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c...
1 meas.
MOL
3D
#1862
Ru(2)
donors: {"N": 1, "P": 2}
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C#N)OC(C)=O.c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1861
Ru(2)
donors: {"N": 1, "P": 2}
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C#N)OC(C)=O.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2cccc...
1 meas.
MOL
3D
#1860
Ru(2)
donors: {"N": 1, "P": 2}
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C#N)OC(C)=O.c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1859
Ru(2)
donors: {"N": 1, "P": 2}
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C#N)OC(C)=O.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccc...
1 meas.
MOL
3D
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104/142 (7058 total)