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D-MPNN
Coordination Complexes
7058 complexes in database
7058
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4834
Ru
1295
Ir
339
Rh
337
Os
253
Re
Metal
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#2058
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2cnc3cc4ccccc4cc3n2)nc1
5 meas.
MOL
3D
#2057
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2cnc3ccccc3n2)nc1
5 meas.
MOL
3D
#2056
Ru(2)
donors: {"N": 3}
[Cl-].c1ccc(-c2cnc3cc4ccccc4cc3n2)nc1.c1ccccc1
5 meas.
MOL
3D
#2055
Ru(2)
donors: {"N": 3}
[Cl-].c1ccc(-c2cnc3ccccc3n2)nc1.c1ccccc1
5 meas.
MOL
3D
#2054
Ru(2)
donors: {"N": 6}
CN(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#2053
Ru(2)
donors: {"N": 6}
CN(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#2052
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Oc1nc(O)c2nc3c4cccnc4c4ncccc4c3nc2n1
5 meas.
MOL
3D
#2051
Ru(2)
donors: {"N": 6}
Oc1nc(O)c2nc3c4cccnc4c4ncccc4c3nc2n1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2050
Ru(2)
donors: {"N": 6}
Oc1nc(O)c2nc3c4cccnc4c4ncccc4c3nc2n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#2049
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Oc1nc(O)c2nc3c4cccnc4c4ncccc4c3nc2n1
5 meas.
MOL
3D
#2048
Ru(2)
donors: {"N": 6}
CCn1c2ccccc2c2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)ccc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2047
Ru(2)
donors: {"N": 8}
O=Cc1c2ccccc2c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2046
Ru(2)
donors: {"N": 8}
O=Cc1c2ccccc2c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#2045
Ru(3)
donors: {"S": 1, "O": 1, "N": 4}
CS(C)=O.Cc1cc(C)[nH]n1.Cc1cc(C)[nH]n1.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#2044
Ru(3)
donors: {"S": 1, "O": 1, "N": 4}
CS(C)=O.[Cl-].[Cl-].[Cl-].c1cn[nH]c1.c1cn[nH]c1
1 meas.
MOL
3D
#2043
Ru(2)
donors: {"N": 3, "O": 2, "P": 1}
Cc1c(/N=C/c2ccccc2[O-])c(=O)n(-c2ccccc2)n1C.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2042
Ru(2)
donors: {"N": 1}
CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCCN(C)C)cc1)c1cc[cH-]c1.c1cc[cH-]c1
2 meas.
MOL
3D
#2041
Ru(2)
donors: {"O": 2}
CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cc[cH-]c1.c1cc[cH-]c1
2 meas.
MOL
3D
#2040
Ru(2)
donors: {"O": 1}
CC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1cc[cH-]c1.c1cc[cH-]c1
2 meas.
MOL
3D
#2039
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Nc1cc2cccnc2c2ncccc12.[Cl-]
5 meas.
MOL
3D
#2038
Ru(2)
donors: {"N": 4, "O": 1}
Cc1ccnc(-c2cc(C[NH2+]CCCCCCCCCCCCCCCC[NH2+]Cc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.O=[N+]([O-])c1ccnc(-c2cc([N+](=O)[O-])cc(-c3c...
2 meas.
MOL
3D
#2037
Ru(2)
donors: {"N": 5, "O": 3}
Cc1ccnc(-c2cc(C)ccn2)c1.O=[N+]([O-])c1ccnc(-c2cc([N+](=O)[O-])cc(-c3cc([N+](=O)[O-])ccn3)n2)c1.[Cl-]
2 meas.
MOL
3D
#2036
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.S=C(N/N=C/c1ccccc1)Nc1ccccc1.[Cl-]
7 meas.
MOL
3D
#2035
Ru(2)
donors: {"N": 3}
CNC(=S)N/N=C/c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2034
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NC(=S)N/N=C/c1ccccc1.[Cl-]
4 meas.
MOL
3D
#2033
Ru(2)
donors: {"N": 1, "O": 2, "As": 2}
CC#N.O=C([O-])c1[c-]c(=O)cc(C(=O)O)o1.[C-]#[O+].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2032
Ru(2)
donors: {"N": 1, "O": 2, "P": 2}
CC#N.O=C([O-])c1[c-]c(=O)cc(C(=O)O)o1.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2031
Ru(2)
donors: {"O": 2, "N": 3}
[C-]#[O+].[Cl-].[O-]c1cc2ccccc2cc1/C=N/c1nc2ccccc2s1.c1ccncc1
2 meas.
MOL
3D
#2030
Ru(2)
donors: {"O": 2, "N": 2, "As": 1}
[C-]#[O+].[Cl-].[O-]c1cc2ccccc2cc1/C=N/c1nc2ccccc2s1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2029
Ru(2)
donors: {"O": 2, "N": 2, "P": 1}
[C-]#[O+].[Cl-].[O-]c1cc2ccccc2cc1/C=N/c1nc2ccccc2s1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#2028
Ru(2)
donors: {"N": 5}
COc1cccc(Nc2ncnc3cc(OC)c(OCCNCCN)cc23)c1.[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#2027
Ru(2)
donors: {"N": 5}
COc1cccc(Nc2ncnc3cc(OC)c(OCCNCCN)cc23)c1.[Cl-].c1ccccc1
1 meas.
MOL
3D
#2026
Ru(2)
donors: {"N": 6}
COc1cc2ncnc(Nc3cccc(C#N)c3)c2cc1OCCNCCN.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#2025
Ru(2)
donors: {"N": 6}
COc1cc2ncnc(Nc3cccc(C#N)c3)c2cc1OCCNCCN.[Cl-].c1ccccc1
1 meas.
MOL
3D
#2024
Ru(2)
donors: {"N": 5}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCNCCN.[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#2023
Ru(2)
donors: {"N": 5, "O": 1}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCNCCN.OCCc1ccccc1.[Cl-]
1 meas.
MOL
3D
#2022
Ru(2)
donors: {"N": 5}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCCN.[Cl-].c1ccc2c(c1)CCC2
1 meas.
MOL
3D
#2021
Ru(2)
donors: {"N": 5, "O": 1}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNCCN.OCCc1ccccc1.[Cl-]
1 meas.
MOL
3D
#2020
Ru(2)
donors: {"N": 5}
COc1cc2ncnc(Nc3ccc(Cl)c(F)c3)c2cc1OCCCNCCN.[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#2019
Ru(2)
donors: {"N": 5}
COc1cc2ncnc(Nc3ccc(Cl)c(F)c3)c2cc1OCCCNCCN.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#2018
Ru(2)
donors: {"N": 5}
COc1cc2ncnc(Nc3ccc(Cl)c(F)c3)c2cc1OCCCNCCN.[Cl-].c1ccccc1
1 meas.
MOL
3D
#2017
Ru(2)
donors: {"N": 5}
COc1cc2ncnc(Nc3ccc(Cl)c(F)c3)c2cc1OCCNCCN.[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#2016
Ru(2)
donors: {"N": 5}
COc1cc2ncnc(Nc3ccc(Cl)c(F)c3)c2cc1OCCNCCN.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#2015
Ru(2)
donors: {"N": 5}
COc1cc2ncnc(Nc3ccc(Cl)c(F)c3)c2cc1OCCNCCN.[Cl-].c1ccccc1
1 meas.
MOL
3D
#2014
Ru(2)
donors: {"N": 6}
Nc1ccc(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2013
Ru(2)
donors: {"N": 6}
Nc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#2012
Ru(2)
donors: {"O": 1, "P": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
2 meas.
MOL
3D
#2011
Ru(2)
donors: {"O": 1, "P": 1, "N": 1}
CC(=O)/C=C(\[O-])c1ccccc1.Cc1ccc(C(C)C)cc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
2 meas.
MOL
3D
#2010
Ru(2)
donors: {"N": 2, "P": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Cn1ccnc1P(c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1
2 meas.
MOL
3D
#2009
Ru(2)
donors: {"O": 1, "N": 2, "P": 1}
CC(=O)/C=C(\[O-])c1ccccc1.Cc1ccc(C(C)C)cc1.Cn1ccnc1P(c1ccccc1)c1ccccc1
2 meas.
MOL
3D
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