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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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#1858
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.FC(F)(F)c1ccc(Cn2[c-][n+](Cc3ccc(C(F)(F)F)cc3)cc2)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#1857
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc(Cn2[c-][n+](Cc3ccc(C)cc3)cc2)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#1856
Ru(2)
donors: {"N": 1}
COc1ccc(Cn2[c-][n+](Cc3ccc(OC)cc3)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#1855
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].[c-]1n(Cc2ccccc2)cc[n+]1Cc1ccccc1
4 meas.
MOL
3D
#1854
Ru(2)
donors: {"N": 6}
c1cc2c3c(cccc3c1)-c1nc3cc4nc5c6cccnc6c6ncccc6c5nc4cc3nc1-2.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#1853
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.c1cc2c3c(cccc3c1)-c1nc3cc4nc5c6cccnc6c6ncccc6c5nc4cc3nc1-2
4 meas.
MOL
3D
#1852
Ru(2)
donors: {"N": 8}
O=C1c2ccccc2C(=O)c2c1cccc2-c1cc(-c2nccs2)nc(-c2nccs2)c1.c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
4 meas.
MOL
3D
#1851
Ru(2)
donors: {"N": 8}
O=C1c2ccccc2C(=O)c2c1cccc2-c1cc(-c2ccccn2)nc(-c2ccccn2)c1.c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
4 meas.
MOL
3D
#1850
Ru(2)
donors: {"N": 6}
O=C1c2ccccc2C(=O)c2c1cccc2-c1cc(-c2nccs2)nc(-c2nccs2)c1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
4 meas.
MOL
3D
#1849
Ru(2)
donors: {"N": 6}
O=C1c2ccccc2C(=O)c2c1cccc2-c1cc(-c2ccccn2)nc(-c2ccccn2)c1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
4 meas.
MOL
3D
#1848
Ru(2)
donors: {"N": 5}
O=C1c2ccccc2C(=O)c2c1cccc2-c1cc(-c2nccs2)nc(-c2nccs2)c1.[c-]1ccccc1-c1cccc(-c2ccccn2)n1
4 meas.
MOL
3D
#1847
Ru(2)
donors: {"N": 5}
O=C1c2ccccc2C(=O)c2c1cccc2-c1cc(-c2ccccn2)nc(-c2ccccn2)c1.[c-]1ccccc1-c1cccc(-c2ccccn2)n1
4 meas.
MOL
3D
#1846
Ru(2)
donors: {"O": 2, "N": 3, "P": 2}
[C-]#[O+].[H-].[O-]/C(=N\N=C(\c1ccccc1)c1ccccn1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#1845
Ru(2)
donors: {"N": 3, "O": 2, "P": 2}
C/C(=N/N=C(\[O-])c1ccccc1)c1ccccn1.[C-]#[O+].[H-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#1844
Ru(2)
donors: {"O": 2, "N": 3, "P": 2}
[C-]#[O+].[H-].[O-]/C(=N\N=C/c1ccccn1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#1843
Ru(2)
donors: {"O": 1, "N": 1}
COC(=O)C1=C([O-])c2ccccc2S(=O)(=O)N1Cc1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1842
Ru(2)
donors: {"N": 1, "O": 1}
CCCN1C(C(=O)OC)=C([O-])c2ccccc2S1(=O)=O.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1841
Ru(2)
donors: {"N": 1, "O": 1}
CCN1C(C(=O)OC)=C([O-])c2ccccc2S1(=O)=O.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1840
Ru(2)
donors: {"O": 1, "N": 1}
COC(=O)C1=C([O-])c2ccccc2S(=O)(=O)N1C.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1839
Ru(2)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1-[n+]1[c-]c(-c2ccccc2)n(C)n1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1838
Ru(2)
donors: {"N": 2}
CC(=O)OC[C@H]1O[C@@H]([n+]2[c-]c(-c3ccccc3)n(C)n2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.Cc1ccc(C(C)C)cc1.[Cl-].[Cl...
3 meas.
MOL
3D
#1837
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cn1n[n+](Cc2ccccc2)[c-]c1-c1ccccc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1836
Ru(2)
donors: {"N": 2}
CCCCCCCCCCCC[n+]1[c-]c(-c2ccccc2)n(C)n1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1835
Ru(2)
donors: {"N": 2}
CCCCCC[n+]1[c-]c(-c2ccccc2)n(C)n1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1834
Ru(2)
donors: {"N": 2}
CC[n+]1[c-]c(-c2ccccc2)n(C)n1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1833
Ru(2)
donors: {"N": 3, "S": 1, "O": 2, "P": 2}
N/C([S-])=N/N=C/c1ccccc1[O-].[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1832
Ru(2)
donors: {"N": 3, "S": 1, "O": 1, "P": 2}
N/C([S-])=N\N=C\c1ccccc1O.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1831
Ru(2)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.CCCNC(=O)CCc1ccc(C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1830
Ru(2)
donors: {"N": 4, "P": 1, "O": 2}
C1N2CN3CN1CP(C2)C3.CCCNC(=O)CCc1ccc(C)cc1.O=C([O-])C(=O)[O-]
3 meas.
MOL
3D
#1829
Ru(2)
donors: {"S": 2, "O": 2, "N": 2}
CS(C)=O.CS(C)=O.O=C(N/N=C/c1cc2ccccc2cc1O)c1cccs1.[Cl-].[Cl-]
4 meas.
MOL
3D
#1828
Ru(2)
donors: {"S": 2, "O": 2, "N": 2}
CS(C)=O.CS(C)=O.O=C(N/N=C/c1cc2ccccc2cc1O)c1ccco1.[Cl-].[Cl-]
4 meas.
MOL
3D
#1827
Ru(2)
donors: {"S": 2, "O": 2, "N": 3}
CS(C)=O.CS(C)=O.O=C(N/N=C/c1cc2ccccc2cc1O)c1ccncc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#1826
Ru(2)
donors: {"S": 2, "O": 2, "N": 2}
CS(C)=O.CS(C)=O.O=C(N/N=C/c1cc2ccccc2cc1O)c1ccccc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#1825
Ru(3)
donors: {"N": 3, "O": 2, "As": 1}
CSC(/N=C/c1c([O-])ccc2ccccc12)=N/N=C/c1c([O-])ccc2ccccc12.[Cl-].c1ccc([As](c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1824
Ru(3)
donors: {"N": 3, "O": 2, "As": 1}
COc1cccc(/C=N/N=C(\N=C\c2cccc(OC)c2[O-])SC)c1[O-].[Cl-].c1ccc([As](c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1823
Ru(3)
donors: {"N": 3, "O": 2, "As": 1}
CSC(/N=C/c1cc(Cl)ccc1[O-])=N/N=C/c1cc(Cl)ccc1[O-].[Cl-].c1ccc([As](c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1822
Ru(3)
donors: {"N": 3, "O": 2, "As": 1}
CSC(/N=C/c1ccccc1[O-])=N/N=C/c1ccccc1[O-].[Cl-].c1ccc([As](c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1821
Ru(2)
donors: {"N": 5}
COCc1cccc2nc(-c3n[nH]c4ncc(Br)cc34)[nH]c12.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1820
Ru(2)
donors: {"N": 5}
Brc1cnc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1819
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc2[nH]c(-c3n[nH]c4ncccc34)nc2c1
3 meas.
MOL
3D
#1818
Ru(2)
donors: {"N": 6}
Cc1c(C)c(C)c(C)c(C)c1C.NC(N)=S.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
2 meas.
MOL
3D
#1817
Ru(2)
donors: {"N": 6}
Cc1c(C)c(C)c(C)c(C)c1C.NC(N)=S.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
2 meas.
MOL
3D
#1816
Ru(2)
donors: {"N": 4}
Cc1c(C)c(C)c(C)c(C)c1C.[Cl-].c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
2 meas.
MOL
3D
#1815
Ru(2)
donors: {"N": 4}
Cc1c(C)c(C)c(C)c(C)c1C.[Cl-].c1cnc2c(c1)c1nccnc1c1cccnc12
2 meas.
MOL
3D
#1814
Ru(2)
Cc1c(C)c(C)[c-](C)c1C.c1cc2ccc3cccc4ccc(c1)c2c34
13 meas.
MOL
3D
#1813
Ru(2)
Cc1c(C)c(C)[c-](C)c1C.c1ccc2c(c1)ccc1ccccc12
13 meas.
MOL
3D
#1812
Ru(2)
Cc1c(C)c(C)[c-](C)c1C.c1ccc2ccccc2c1
13 meas.
MOL
3D
#1811
Ru(2)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.Nc1ccccc1
25 meas.
MOL
3D
#1810
Ru(2)
donors: {"O": 1}
CCCC(=O)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C
25 meas.
MOL
3D
#1809
Ru(2)
donors: {"O": 1}
CCC(=O)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C
13 meas.
MOL
3D
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105/142 (7058 total)