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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
Re
Rh
Ru
Ox. State
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#4058
Ru(2)
donors: {"N": 1, "O": 1}
CC(=O)/C(C)=N\[O-].Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#4057
Ru(2)
donors: {"N": 8}
CS(=O)(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1
4 meas.
MOL
3D
#4056
Ru(2)
donors: {"N": 8}
CS(=O)(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#4055
Ru(2)
donors: {"N": 8}
CS(=O)(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
4 meas.
MOL
3D
#4054
Ru(2)
donors: {"S": 2, "O": 2, "N": 4}
CS(C)=O.CS(C)=O.Cc1nc(-c2nc(C)c(C)[nH]2)[nH]c1C.[Cl-].[Cl-]
1 meas.
MOL
3D
#4053
Ru(2)
donors: {"N": 6}
Cc1nc(-c2nc(C)c(C)[nH]2)[nH]c1C.Cc1nc(-c2nc(C)c(C)[nH]2)[nH]c1C.Cc1nc(-c2nc(C)c(C)[nH]2)[nH]c1C
1 meas.
MOL
3D
#4052
Ru(2)
donors: {"N": 6}
c1c[nH]c(-c2ncc[nH]2)n1.c1c[nH]c(-c2ncc[nH]2)n1.c1c[nH]c(-c2ncc[nH]2)n1
1 meas.
MOL
3D
#4051
Ru(2)
donors: {"N": 8}
c1cc2c3c(cccc3c1)-c1[nH]c(-c3cc4cccnc4c4ncccc34)nc1-2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#4050
Ru(2)
donors: {"N": 8}
c1cc2c3c(cccc3c1)-c1[nH]c(-c3cc4cccnc4c4ncccc34)nc1-2.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#4049
Ru(2)
donors: {"O": 6}
CC(=O)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.c1cc[cH-]c1
6 meas.
MOL
3D
#4048
Ru(2)
donors: {"O": 6}
OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O.c1cc[cH-]c1
6 meas.
MOL
3D
#4047
Ru(2)
donors: {"N": 8}
COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4046
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.N#Cc1c(N2CCOCC2)nsc1Nc1ccccc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#4045
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.N#Cc1c(N2CCCC2)nsc1Nc1ccccc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#4044
Ru(2)
donors: {"N": 6}
c1c[nH]c(-c2ncc[nH]2)n1.c1c[nH]c(-c2ncc[nH]2)n1.c1cnc2c(c1)c1nc[nH]c1c1cccnc12
5 meas.
MOL
3D
#4043
Ru(2)
donors: {"P": 2, "N": 2}
[Cl-].[Cl-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4042
Ru(2)
donors: {"N": 4, "O": 1, "P": 2}
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4041
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
CSCC[C@H](N)C(=O)[O-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4040
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
N[C@@H](Cc1ccc(O)cc1)C(=O)[O-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4039
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
CC(C)[C@H](N)C(=O)[O-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4038
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
C[C@H](N)C(=O)[O-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4037
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
NCC(=O)[O-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4036
Ru(2)
donors: {"O": 1, "P": 2, "N": 2}
CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#4035
Ru(2)
donors: {"O": 1, "P": 2, "N": 2}
O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#4034
Ru(2)
donors: {"S": 4, "O": 1}
C1CSCCSCCS1.CS(C)=O.[Br-].[Br-]
1 meas.
MOL
3D
#4033
Ru(2)
donors: {"S": 4, "O": 1}
C1CSCCSCCS1.CS(C)=O.[Cl-].[Cl-]
1 meas.
MOL
3D
#4032
Ru(2)
donors: {"N": 2}
CCN(CC)CC(=O)Nc1c(C)cccc1C.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#4031
Ru(2)
donors: {"N": 3}
Cc1c(C)c(C)c(C)c(C)c1C.NCCN.[N-]=C=S
1 meas.
MOL
3D
#4030
Ru(2)
donors: {"O": 2, "N": 1}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc(/C=C/c2ccc3cccc([O-])c3n2)cc1.[Cl-]
5 meas.
MOL
3D
#4029
Ru(2)
donors: {"N": 5, "O": 1}
CCCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1[N+](=O)[O-].Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
1 meas.
MOL
3D
#4028
Ru(2)
donors: {"N": 5, "O": 1}
CCCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1[N+](=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#4027
Ru(2)
donors: {"N": 5, "O": 1}
CCCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1[N+](=O)[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4026
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C1/C(=C/c2ccncc2)CCC/C1=C\c1ccncc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#4025
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C1/C(=C/c2ccncc2)CC/C1=C\c1ccncc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#4024
Ru(2)
donors: {"N": 8}
COc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)nn1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4023
Ru(2)
donors: {"N": 8}
COc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)nn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#4022
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]c1ccc(F)cc1F)c1ccc2ccccc2n1.[Br-]
4 meas.
MOL
3D
#4021
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]c1ccc(F)cc1)c1ccc2ccccc2n1.[Br-]
4 meas.
MOL
3D
#4020
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]c1ccccc1F)c1ccc2ccccc2n1.[Br-]
4 meas.
MOL
3D
#4019
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]c1ccc(F)cc1F)c1ccc2ccccc2n1.[Cl-]
4 meas.
MOL
3D
#4018
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]c1ccc(F)cc1)c1ccc2ccccc2n1.[Cl-]
4 meas.
MOL
3D
#4017
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]c1ccccc1F)c1ccc2ccccc2n1.[Cl-]
4 meas.
MOL
3D
#4016
Ru(2)
donors: {"N": 4}
C1CNCCNCCCNCCNC1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4015
Ru(2)
donors: {"O": 1, "N": 1, "P": 4}
O=C([O-])c1cc(O)c2ccccc2n1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#4014
Ru(2)
donors: {"O": 1, "N": 1, "P": 4}
O=C([O-])c1ccc2ccccc2n1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#4013
Ru(2)
donors: {"S": 1, "O": 1, "N": 6}
CS(C)=O.O=C(N/N=C1\C(=O)c2cccnc2-c2ncccc21)c1ccco1.[Cl-].c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#4012
Ru(2)
donors: {"S": 1, "O": 1, "N": 6}
CS(C)=O.O=C(N/N=C1\C(=O)c2cccnc2-c2ncccc21)c1cccs1.[Cl-].c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#4011
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc(Cn2[c-][n+](Cc3ccc(C)cc3C)c3cc(C)c(C)cc32)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4010
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc(Cn2[c-][n+](Cc3ccc(C(C)(C)C)cc3)c3cc(C)c(C)cc32)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4009
Ru(2)
donors: {"N": 1}
Cc1cc(C)c(Cn2[c-][n+](Cc3c(C)cc(C)cc3C)c3cc(C)c(C)cc32)c(C)c1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
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61/142 (7058 total)