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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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Os
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Ru
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#4108
Ru(2)
donors: {"N": 2, "P": 1}
C[c-]1cccc1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)CCCOc1ccnc(-c2cc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C...
3 meas.
MOL
3D
#4107
Ru(2)
donors: {"N": 8}
C(#Cc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4106
Ru(2)
donors: {"N": 8}
Cc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4105
Ru(2)
donors: {"N": 8}
Brc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4104
Ru(2)
donors: {"O": 2, "N": 3, "S": 1, "As": 1}
O=[N+]([O-])c1ccccc1/C=N/N=C(\[S-])Nc1ccccc1.[C-]#[O+].[Cl-].c1ccc([As](c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4103
Ru(2)
donors: {"O": 2, "N": 3, "S": 1, "P": 1}
O=[N+]([O-])c1ccccc1/C=N/N=C(\[S-])Nc1ccccc1.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4102
Ru(2)
donors: {"O": 1, "S": 1, "N": 3, "As": 1}
[C-]#[O+].[Cl-].[S-]/C(=N\N=C\c1ccccc1Cl)Nc1ccccc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4101
Ru(2)
donors: {"O": 1, "S": 1, "N": 3, "P": 1}
[C-]#[O+].[Cl-].[S-]/C(=N\N=C\c1ccccc1Cl)Nc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4100
Ru(2)
donors: {"N": 8}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.c1ccc2sc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc3)cc2c1
4 meas.
MOL
3D
#4099
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.c1ccc2sc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc3)cc2c1
4 meas.
MOL
3D
#4098
Ru(2)
donors: {"N": 8}
c1ccc2sc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc3)cc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#4097
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2sc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc3)cc2c1
4 meas.
MOL
3D
#4096
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2sc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)cn4)nc3)nc2c1
4 meas.
MOL
3D
#4095
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2sc(-c3ccc(-c4cc(-c5nc6ccccc6s5)ccn4)nc3)nc2c1
4 meas.
MOL
3D
#4094
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1
4 meas.
MOL
3D
#4093
Ru(2)
donors: {"N": 4, "P": 1}
CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1.Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)...
5 meas.
MOL
3D
#4092
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#4091
Ru(2)
donors: {"N": 6, "P": 1}
Cc1ccc(C(C)C)cc1.OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#4090
Ru(3)
donors: {"N": 4, "S": 1, "O": 1}
CN(C)/C([S-])=N/N=C/c1c([O-])ccc2ccccc12.CN(C)C(=S)N/N=C/c1c([O-])ccc2ccccc12
2 meas.
MOL
3D
#4089
Ru(3)
donors: {"N": 4, "S": 1, "O": 1}
CN/C([S-])=N/N=C/c1c([O-])ccc2ccccc12.CNC(=S)N/N=C/c1c([O-])ccc2ccccc12
2 meas.
MOL
3D
#4088
Ru(3)
donors: {"N": 4, "S": 1, "O": 1}
N/C([S-])=N\N=C\c1c([O-])ccc2ccccc12.NC(=S)N/N=C/c1c([O-])ccc2ccccc12
2 meas.
MOL
3D
#4087
Ru(2)
donors: {"N": 2, "P": 2}
CCCCCCCCCCCCCCCCCC[N+]12CN3CN(CP(C3)C1)C2.[Cl-].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4086
Ru(2)
donors: {"N": 2, "P": 2}
CCCCCCCCCCCCCCCC[N+]12CN3CN(CP(C3)C1)C2.[Cl-].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4085
Ru(2)
donors: {"N": 2, "P": 2}
CCCCCCCCCCCC[N+]12CN3CN(CP(C3)C1)C2.[Cl-].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4084
Ru(2)
donors: {"N": 2, "P": 2}
C[N+]12CN3CN(CP(C3)C1)C2.[Cl-].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4083
Ru(2)
donors: {"N": 3, "P": 2}
C1N2CN3CN1CP(C2)C3.[Cl-].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4082
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.Cc1cccc(C(=O)[O-])n1.[Cl-]
4 meas.
MOL
3D
#4081
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])c1cccc(Br)n1.[Cl-]
4 meas.
MOL
3D
#4080
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])c1cccc(Cl)n1.[Cl-]
4 meas.
MOL
3D
#4079
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])c1cccc(F)n1.[Cl-]
4 meas.
MOL
3D
#4078
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])c1ccc(Br)cn1.[Cl-]
4 meas.
MOL
3D
#4077
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1cccnc1C(=O)[O-].[Cl-]
4 meas.
MOL
3D
#4076
Ru(2)
donors: {"N": 8}
CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.c1cc...
4 meas.
MOL
3D
#4075
Ru(2)
donors: {"N": 8}
CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.c1cn...
4 meas.
MOL
3D
#4074
Ru(2)
donors: {"N": 8}
CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.c1cc...
4 meas.
MOL
3D
#4073
Ru(2)
donors: {"N": 1, "O": 1, "P": 1}
Cc1ccc(C(C)C)cc1.N[C@@H](CO)C(=O)[O-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4072
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])[C@@H]1CCCN1.[Cl-]
2 meas.
MOL
3D
#4071
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.N[C@@H](CO)C(=O)[O-].[Cl-]
2 meas.
MOL
3D
#4070
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.NC(=O)CC[C@H](N)C(=O)[O-].[Cl-]
2 meas.
MOL
3D
#4069
Ru(2)
donors: {"N": 2}
CC(C)c1c[c-]c(-n2cc3ccccc3n2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#4068
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[c-]1ccccc1-n1cc2ccccc2n1
3 meas.
MOL
3D
#4067
Ru(2)
donors: {"N": 8}
c1ccc2cc3[nH]c(-c4cc5cccnc5c5ncccc45)nc3cc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#4066
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2cc3[nH]c(-c4cc5cccnc5c5ncccc45)nc3cc2c1
3 meas.
MOL
3D
#4065
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.O=C1/C(=N\[O-])c2cccc3cccc1c23.[Cl-]
3 meas.
MOL
3D
#4064
Ru(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.O=C1Cc2ccccc2/C1=N\[O-].[Cl-]
3 meas.
MOL
3D
#4063
Ru(2)
donors: {"N": 1, "O": 1}
CCCC(=O)/C(C)=N\[O-].Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#4062
Ru(2)
donors: {"N": 1, "O": 1}
C/C(=N/[O-])C(=O)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#4061
Ru(2)
donors: {"N": 1, "O": 1}
CCC(=O)/C(CC)=N\[O-].Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#4060
Ru(2)
donors: {"N": 1, "O": 1}
CCC(=O)/C(C)=N\[O-].Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#4059
Ru(2)
donors: {"N": 1, "O": 1}
CC(=O)/C=N\[O-].Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
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