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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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Ir
Os
Re
Rh
Ru
Ox. State
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#3208
Ru(2)
donors: {"N": 2}
Cc1cc(C)cc(C)c1.Cc1ccnc2c1ccc1cccnc12.[Cl-]
3 meas.
MOL
3D
#3207
Ru(2)
donors: {"N": 2}
Cc1cc(C)cc(C)c1.[Cl-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
3 meas.
MOL
3D
#3206
Ru(2)
donors: {"N": 2}
Cc1ccnc2c1ccc1cccnc12.[Cl-].c1ccccc1
3 meas.
MOL
3D
#3205
Ru(2)
donors: {"N": 2}
[Cl-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccccc1
3 meas.
MOL
3D
#3204
Ru(2)
donors: {"N": 2}
Cc1c(C)c(C)c(C)c(C)c1C.[Cl-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
3 meas.
MOL
3D
#3203
Ru(2)
donors: {"N": 2}
Cc1c(C)c(C)c(C)c(C)c1C.[Cl-].c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#3202
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Cc1ccnc2c1ccc1c(C)ccnc12.[Cl-]
3 meas.
MOL
3D
#3201
Ru(2)
donors: {"N": 2}
CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.Cc1cc(C)cc(C)c1.[Cl-]
3 meas.
MOL
3D
#3200
Ru(2)
donors: {"N": 2}
Cc1cc(C)cc(C)c1.[Cl-].c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3199
Ru(2)
donors: {"N": 2}
CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#3198
Ru(2)
donors: {"N": 2}
[Cl-].c1ccc(-c2ccccn2)nc1.c1ccccc1
3 meas.
MOL
3D
#3197
Ru(2)
donors: {"N": 2}
Cc1c(C)c(C)c(C)c(C)c1C.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Cl-]
3 meas.
MOL
3D
#3196
Ru(2)
donors: {"N": 2}
CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
3 meas.
MOL
3D
#3195
Ru(2)
donors: {"N": 2}
Cc1c(C)c(C)c(C)c(C)c1C.[Cl-].c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3194
Ru(2)
donors: {"N": 2}
CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3193
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1csc(-c2ccc(-c3ccc(-c4cc5cccnc5c5ncccc45)s3)s2)c1
5 meas.
MOL
3D
#3192
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1csc(-c2ccc(-c3cc4cccnc4c4ncccc34)s2)c1
5 meas.
MOL
3D
#3191
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1csc(-c2cc3cccnc3c3ncccc23)c1
5 meas.
MOL
3D
#3190
Ru(2)
donors: {"N": 3}
CN(C)c1cccc2c(S(=O)(=O)[N-]CCNCc3ccccc3)cccc12.[Cl-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#3189
Ru(2)
donors: {"N": 2}
O=S(=O)([N-]CCNCc1ccccc1)c1ccccc1.[Cl-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#3188
Ru(2)
donors: {"N": 2}
O=S(=O)([N-]CCNCc1ccccc1)c1ccc(F)cc1.[Cl-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#3187
Ru(2)
donors: {"O": 1, "N": 2}
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCNCc2ccccc2)cc1.[Cl-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#3186
Ru(2)
donors: {"N": 2, "O": 2}
Cc1ccc(S(=O)(=O)[N-]CCNCc2ccccc2)cc1.OCCOc1ccccc1.[Cl-]
2 meas.
MOL
3D
#3185
Ru(2)
donors: {"N": 2}
Cc1ccc(S(=O)(=O)[N-]CCNCc2ccccc2)cc1.[I-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#3184
Ru(2)
donors: {"N": 2}
Cc1ccc(S(=O)(=O)[N-]CCNCc2ccccc2)cc1.[Cl-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#3183
Ru(2)
donors: {"N": 2}
Cc1ccc(S(=O)(=O)[N-]CCNCc2ccccc2)cc1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#3182
Ru(2)
donors: {"O": 1, "N": 5}
O=C([O-])CCCc1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#3181
Ru(2)
donors: {"O": 1, "N": 5}
CCCC(CCC)C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#3180
Ru(2)
donors: {"N": 5}
[I-].c1ccc(-c2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#3179
Ru(2)
donors: {"N": 5}
[Br-].c1ccc(-c2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#3178
Ru(2)
donors: {"N": 5}
[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#3177
Ru(2)
donors: {"N": 8}
c1cc(-c2ccc3cccnc3n2)nc(-c2ccc3cccnc3n2)c1.c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)cc(-c3ccccn3)n2)nc1
1 meas.
MOL
3D
#3176
Ru(2)
donors: {"N": 7}
[c-]1cccc2c1c1ncccc1c1nc3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3nc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#3175
Ru(2)
donors: {"N": 8}
c1cc2ccc3ccc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)c4ccc(c1)c2c34.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#3174
Ru(2)
donors: {"N": 8}
COc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.COc1ccncc1.COc1ccncc1.COc1ccncc1.COc1ccncc1
5 meas.
MOL
3D
#3173
Ru(2)
donors: {"N": 8}
COc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
2 meas.
MOL
3D
#3172
Ru(2)
donors: {"N": 8}
c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
2 meas.
MOL
3D
#3171
Ru(2)
donors: {"N": 6}
CCN(CC)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(O)c1.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#3170
Ru(2)
donors: {"N": 6}
CCN(CC)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#3169
Ru(2)
donors: {"N": 5, "O": 1}
CN(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c([N+](=O)[O-])c1.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#3168
Ru(2)
donors: {"N": 6}
CN(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#3167
Ru(2)
donors: {"O": 1, "N": 4}
O=[N+]([O-])c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#3166
Ru(2)
donors: {"O": 1, "N": 4}
O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#3165
Ru(2)
donors: {"N": 4}
Clc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#3164
Ru(2)
donors: {"N": 4}
Clc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Cl-].c1ccccc1
8 meas.
MOL
3D
#3163
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
6 meas.
MOL
3D
#3162
Ru(2)
donors: {"N": 6}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#3161
Ru(2)
donors: {"O": 1, "N": 4}
COc1ccc(/C([O-])=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#3160
Ru(2)
donors: {"O": 2, "N": 4}
COc1cc([O-])c(C(=O)c2ccccc2)cc1S(=O)(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3159
Ru(2)
donors: {"O": 1, "N": 4}
COc1ccc(C(=O)c2ccccc2)c([O-])c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
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78/142 (7058 total)