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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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Donor atoms
Has 3D struct
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#3158
Ru(2)
donors: {"O": 1, "N": 4}
CC(=O)c1ccccc1[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3157
Ru(2)
donors: {"O": 1, "N": 4}
O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3156
Ru(2)
donors: {"O": 1, "N": 4}
O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3155
Ru(2)
donors: {"O": 1, "N": 4}
CC(=O)/C=C(/C)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3154
Ru(2)
donors: {"N": 4, "As": 1}
[Cl-].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3153
Ru(2)
donors: {"N": 4, "P": 1}
[Cl-].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3152
Ru(2)
donors: {"S": 1, "N": 4, "P": 2}
[S-]c1ncccn1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#3151
Ru(2)
donors: {"N": 8}
O=C(O)c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#3150
Ru(2)
donors: {"N": 8}
O=C(O)c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#3149
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(CCC#Cc3ccc(C=NNC(N)=O)nc3)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4cccc...
5 meas.
MOL
3D
#3148
Ru(2)
donors: {"N": 6}
CC(=O)OCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#3147
Ru(2)
donors: {"N": 8}
CC(=O)OCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
1 meas.
MOL
3D
#3146
Ru(2)
donors: {"N": 8}
CC(=O)OCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#3145
Ru(2)
donors: {"N": 8}
CC(=O)OCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#3144
Ru(2)
donors: {"O": 1, "N": 5}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccncc1.c1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccccn2)nc1
1 meas.
MOL
3D
#3143
Ru(2)
donors: {"N": 5}
COC(=O)c1ccncc1.Cc1ccc(C(C)C)cc1.c1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccccn2)nc1
1 meas.
MOL
3D
#3142
Ru(2)
donors: {"N": 5}
COc1ccncc1.Cc1ccc(C(C)C)cc1.c1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccccn2)nc1
1 meas.
MOL
3D
#3141
Ru(2)
donors: {"N": 6}
Cc1ccc(C(C)C)cc1.Nc1ccncc1.c1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccccn2)nc1
1 meas.
MOL
3D
#3140
Ru(2)
donors: {"N": 6}
CN(C)c1ccncc1.Cc1ccc(C(C)C)cc1.c1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccccn2)nc1
1 meas.
MOL
3D
#3139
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
CCOC(=O)c1ccnc(C(=O)[O-])c1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#3138
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
O=C(O)c1ccnc(C(=O)[O-])c1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#3137
Ru(2)
donors: {"N": 6}
Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#3136
Ru(2)
donors: {"N": 6}
c1ccc(-c2nccc3ccccc23)nc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#3135
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nccc3ccccc23)nc1
5 meas.
MOL
3D
#3134
Ru(2)
donors: {"N": 5}
[c-]1ccccc1-c1nccc2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#3133
Ru(2)
donors: {"N": 5}
[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#3132
Ru(2)
donors: {"N": 2}
C(Cc1cc2ccc3cccc4ccc(c1)c2c34)=NCCN=Cc1cc2ccc3cccc4ccc(c1)c2c34.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#3131
Ru(2)
donors: {"N": 2}
CC(C)c1ccc(C=NCCN=CCc2ccc(C(C)C)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#3130
Ru(2)
donors: {"N": 8}
FC(F)(F)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3129
Ru(2)
donors: {"N": 8}
Fc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1F.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3128
Ru(2)
donors: {"N": 6}
C#Cc1ccnc(-c2ccccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#3127
Ru(2)
donors: {"N": 6}
C#Cc1ccnc(-c2ccccn2)c1.CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1.CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1
2 meas.
MOL
3D
#3126
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]C(=NN=Cc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
4 meas.
MOL
3D
#3125
Ru(2)
donors: {"O": 1, "N": 2}
COc1ccc(C([O-])=NN=Cc2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#3124
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]C(=NN=Cc1ccc(-c2ccccc2)cc1)c1ccccc1
4 meas.
MOL
3D
#3123
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]C(=NN=Cc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1.c1ccccc1
4 meas.
MOL
3D
#3122
Ru(2)
donors: {"O": 1, "N": 2}
COc1ccc(C([O-])=NN=Cc2ccc(-c3ccccc3)cc2)cc1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#3121
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]C(=NN=Cc1ccc(-c2ccccc2)cc1)c1ccccc1.c1ccccc1
4 meas.
MOL
3D
#3120
Ru(2)
donors: {"N": 1, "O": 1}
COc1cccc(C=NCCCl)c1[O-].Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#3119
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1ccccc1C=NCCCl
4 meas.
MOL
3D
#3118
Ru(2)
donors: {"N": 3, "O": 2}
Cc1cccc(-c2cccc(C)n2)n1.O=S(=O)([O-])c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)[O-])cc4)ccnc23)cc1.O=S(=O)([O-])c1ccc(-c2ccn...
2 meas.
MOL
3D
#3117
Ru(2)
donors: {"N": 6}
Cc1cccc(-c2cccc(C)n2)n1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
2 meas.
MOL
3D
#3116
Ru(2)
donors: {"N": 6}
Cc1cccc(-c2cccc(C)n2)n1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#3115
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.[N-]=C=S.[O-]c1ccccc1-c1nc2ccccc2s1
6 meas.
MOL
3D
#3114
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccccc1-c1nc2ccccc2s1.c1ccccc1
6 meas.
MOL
3D
#3113
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1ccccc1-c1nc2ccccc2s1
6 meas.
MOL
3D
#3112
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]c1ccccc1-c1nc2ccccc2[nH]1.c1ccccc1
6 meas.
MOL
3D
#3111
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]c1ccccc1-c1nc2ccccc2[nH]1
6 meas.
MOL
3D
#3110
Ru(2)
donors: {"N": 5}
N#[O+].[Cl-].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
1 meas.
MOL
3D
#3109
Ru(2)
donors: {"N": 5}
N#[O+].[OH-].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
1 meas.
MOL
3D
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79/142 (7058 total)