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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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Ox. State
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Has 3D struct
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#1958
Ru(2)
donors: {"N": 6}
Cc1ncc(CO)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#1957
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ncc(CO)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O
4 meas.
MOL
3D
#1956
Ru(2)
donors: {"N": 6}
c1cc2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c1)c2c34.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccncc1
3 meas.
MOL
3D
#1955
Ru(2)
donors: {"N": 6}
c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2c(c1)c1ccccc1c1nc(-c3cnccn3)nnc21.c1ccncc1
3 meas.
MOL
3D
#1954
Ru(2)
donors: {"N": 6}
c1cc2c3c(cccc3c1)-c1nc(-c3cnccn3)nnc1-2.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccncc1
3 meas.
MOL
3D
#1953
Ru(2)
donors: {"N": 1, "O": 1}
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N[C@H](C[O-])C2.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1952
Ru(2)
donors: {"N": 1, "O": 1}
COc1cc2c(cc1OC)[C@H](c1ccccc1)N[C@H](C[O-])C2.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1951
Ru(2)
donors: {"O": 1, "N": 1}
CC(C)(C)[Si](C)(C)Oc1cc2c(cc1O[Si](C)(C)C(C)(C)C)C[C@@H](C[O-])NC2.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1950
Ru(2)
donors: {"O": 1, "N": 1}
COc1cc2c(cc1OC)C[C@@H](C[O-])NC2.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1949
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]C[C@@H]1Cc2ccccc2CN1
2 meas.
MOL
3D
#1948
Ru(2)
donors: {"N": 1, "P": 1}
Cc1ccc(C(C)C)cc1.OCCc1ccncc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1947
Ru(2)
donors: {"N": 1, "P": 1}
Cc1ccc(C(C)C)cc1.Cc1cncc(C)c1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1946
Ru(2)
donors: {"N": 1, "P": 1}
Cc1ccc(C(C)C)cc1.Cc1ccncc1C.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1945
Ru(2)
donors: {"N": 1, "P": 1}
Cc1ccc(C(C)C)cc1.Cc1cccnc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1944
Ru(2)
donors: {"N": 1, "P": 1}
Cc1ccc(C(C)C)cc1.OCCc1ccncc1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#1943
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccnc(-c2cc(C)ccn2)c1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
9 meas.
MOL
3D
#1942
Ru(2)
donors: {"N": 3, "S": 1, "O": 2, "P": 2}
CN/C([S-])=N/N=C/c1ccccc1[O-].[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1941
Ru(2)
donors: {"N": 3, "S": 1, "O": 1, "P": 2}
CN/C([S-])=N\N=C\c1ccccc1O.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1940
Ru(2)
donors: {"N": 4}
[I-].c1ccc2c(c1)CCCC2.c1cnc(-c2ncccn2)nc1
1 meas.
MOL
3D
#1939
Ru(2)
donors: {"N": 4}
[I-].c1ccc2c(c1)CCC2.c1cnc(-c2ncccn2)nc1
1 meas.
MOL
3D
#1938
Ru(2)
donors: {"N": 4}
Cc1c(C)c(C)c(C)c(C)c1C.[I-].c1cnc(-c2ncccn2)nc1
1 meas.
MOL
3D
#1937
Ru(2)
donors: {"N": 4}
[I-].c1ccc(-c2ccccc2)cc1.c1cnc(-c2ncccn2)nc1
4 meas.
MOL
3D
#1936
Ru(2)
donors: {"N": 4}
[Br-].c1ccc(-c2ccccc2)cc1.c1cnc(-c2ncccn2)nc1
4 meas.
MOL
3D
#1935
Ru(2)
donors: {"N": 4}
[Cl-].c1ccc(-c2ccccc2)cc1.c1cnc(-c2ncccn2)nc1
4 meas.
MOL
3D
#1934
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[I-].c1cnc(-c2ncccn2)nc1
4 meas.
MOL
3D
#1933
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[Br-].c1cnc(-c2ncccn2)nc1
4 meas.
MOL
3D
#1932
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.[Cl-].c1cnc(-c2ncccn2)nc1
5 meas.
MOL
3D
#1931
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
8 meas.
MOL
3D
#1930
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Clc1nc2ccc(/N=C/c3ccccn3)cc2c2[nH]c3ccccc3c12.[Cl-]
3 meas.
MOL
3D
#1929
Ru(2)
donors: {"N": 4}
C(=N/c1ccc2ncc3c4ccccc4[nH]c3c2c1)\c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1928
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=c1[nH]c2ccc(/N=C/c3ccccn3)cc2c2[nH]c3ccccc3c12.[Cl-]
3 meas.
MOL
3D
#1927
Ru(3)
donors: {"N": 2}
[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].c1ccc2[nH]ncc2c1
7 meas.
MOL
3D
#1926
Ru(2)
donors: {"N": 6}
CC1=NC2c3nc(C)ccc3C=CC2C=C1.Cc1cnc2c(ccc3ccc(C)nc32)c1.Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
4 meas.
MOL
3D
#1925
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
4 meas.
MOL
3D
#1924
Ru(2)
donors: {"N": 6}
Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#1923
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.Cc1ncc(CO)c(/C=N\NC2=Nc3ccccc3-c3[nH]c4ccc(Br)cc4c3C2)c1O.[Cl-]
9 meas.
MOL
3D
#1922
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Oc1ccccc1/C=N\NC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1.[Cl-]
9 meas.
MOL
3D
#1921
Ru(2)
donors: {"N": 6, "P": 1}
C1N2CN3CN1CP(C2)C3.CC1=NN(c2ccccc2)C(=O)/C1=C(\[N-]c1ccccc1)c1ccc2ccccc2c1.Cc1ccc(C(C)C)cc1
2 meas.
MOL
3D
#1920
Ru(2)
donors: {"N": 3, "O": 1}
CC1=NN(c2ccccc2)C(=O)/C1=C(\[N-]c1ccccc1)c1ccc2ccccc2c1.CO.Cc1ccc(C(C)C)cc1
2 meas.
MOL
3D
#1919
Ru(2)
donors: {"N": 6, "P": 1}
C1N2CN3CN1CP(C2)C3.CC1=NN(c2ccccc2)C(=O)/C1=C(\[N-]c1ccccc1)c1ccccc1.Cc1ccc(C(C)C)cc1
2 meas.
MOL
3D
#1918
Ru(2)
donors: {"N": 3, "O": 1}
CC1=NN(c2ccccc2)C(=O)/C1=C(\[N-]c1ccccc1)c1ccccc1.CO.Cc1ccc(C(C)C)cc1
2 meas.
MOL
3D
#1917
Ru(2)
donors: {"N": 3}
CC/C([N-]c1ccccc1)=C1/C(=O)N(c2ccccc2)N=C1C.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1916
Ru(2)
donors: {"N": 3}
CC1=NN(c2ccccc2)C(=O)/C1=C(\[N-]c1ccccc1)c1ccc2ccccc2c1.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
2 meas.
MOL
3D
#1915
Ru(2)
donors: {"N": 3}
CC1=NN(c2ccccc2)C(=O)/C1=C(\[N-]c1ccccc1)c1ccc2ccccc2c1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#1914
Ru(2)
donors: {"N": 3}
CC1=NN(c2ccccc2)C(=O)/C1=C(\[N-]c1ccccc1)c1ccc2ccccc2c1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1913
Ru(2)
donors: {"N": 3}
CC1=NN(c2ccccc2)C(=O)/C1=C(\[N-]c1ccccc1)c1ccccc1.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
2 meas.
MOL
3D
#1912
Ru(2)
donors: {"N": 3}
CC1=NN(c2ccccc2)C(=O)/C1=C(\[N-]c1ccccc1)c1ccccc1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#1911
Ru(2)
donors: {"N": 3}
CC1=NN(c2ccccc2)C(=O)/C1=C(\[N-]c1ccccc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1910
Ru(2)
donors: {"N": 5, "O": 1}
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1cn(Cc2cc(=O)c([O-])co2)nn1)C(N)=O.Cc1...
3 meas.
MOL
3D
#1909
Ru(2)
donors: {"N": 3, "O": 1}
Cc1ccc(C(C)C)cc1.O=c1cc(Cn2cc(COc3ccccc3)nn2)occ1[O-].[Cl-]
3 meas.
MOL
3D
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103/142 (7058 total)