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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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Donor atoms
Has 3D struct
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#5208
Ir(3)
donors: {"O": 2, "N": 2}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1ccccn1.COc1ccccc1-[c-]1c(C)c(C)c(C)c1C.[Cl-]
3 meas.
MOL
3D
#5207
Ir(3)
donors: {"O": 1, "N": 2}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1ccccn1.Cc1ccccc1-[c-]1c(C)c(C)c(C)c1C.[Cl-]
3 meas.
MOL
3D
#5206
Ir(3)
donors: {"O": 1, "N": 2}
CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1ccccn1.Cc1c(C)c(C)[c-](C2CCCCC2)c1C.[Cl-]
3 meas.
MOL
3D
#5205
Ir(3)
donors: {"N": 5}
CN(C)c1cc2cccnc2c2ncccc12.O=Cc1c[c-]c(-c2ccccn2)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1
1 meas.
MOL
3D
#5204
Ir(3)
donors: {"N": 5}
CN(C)c1cc2cccnc2c2ncccc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
1 meas.
MOL
3D
#5203
Ir(3)
donors: {"N": 5}
CN(C)c1cc2cccnc2c2ncccc12.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1
1 meas.
MOL
3D
#5202
Ir(3)
donors: {"N": 5}
CN(C)c1cc2cccnc2c2ncccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#5201
Ir(3)
donors: {"N": 7}
O=Cc1c[c-]c(-c2ccccn2)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1.c1ccc(CN(Cc2ccccn2)c2cc3cccnc3c3ncccc23)nc1
1 meas.
MOL
3D
#5200
Ir(3)
donors: {"N": 7}
[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.c1ccc(CN(Cc2ccccn2)c2cc3cccnc3c3ncccc23)nc1
1 meas.
MOL
3D
#5199
Ir(3)
donors: {"N": 7}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.c1ccc(CN(Cc2ccccn2)c2cc3cccnc3c3ncccc23)nc1
1 meas.
MOL
3D
#5198
Ir(3)
donors: {"N": 7}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(CN(Cc2ccccn2)c2cc3cccnc3c3ncccc23)nc1
1 meas.
MOL
3D
#5197
Ir(3)
donors: {"N": 7}
CN(C)c1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5196
Ir(3)
donors: {"N": 6}
COc1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5195
Ir(3)
donors: {"O": 1, "N": 6}
O=[N+]([O-])c1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5194
Ir(3)
donors: {"N": 6}
C(=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)\c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
11 meas.
MOL
3D
#5193
Ir(3)
donors: {"N": 7}
Cc1ccnc(-c2cc(C(=O)NCCCCCC(=O)NCCc3c[nH]c4ccccc34)ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
1 meas.
MOL
3D
#5192
Ir(3)
donors: {"N": 7}
Cc1ccnc(-c2cc(C(=O)NCCCCCC(=O)NCCc3c[nH]c4ccccc34)ccn2)c1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
1 meas.
MOL
3D
#5191
Ir(3)
donors: {"N": 7}
Cc1ccnc(-c2cc(C(=O)NCCCCCC(=O)NCCc3c[nH]c4ccccc34)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#5190
Ir(3)
donors: {"N": 6}
Cc1ccnc(-c2cc(C(=O)NCCc3c[nH]c4ccccc34)ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
1 meas.
MOL
3D
#5189
Ir(3)
donors: {"N": 6}
Cc1ccnc(-c2cc(C(=O)NCCc3c[nH]c4ccccc34)ccn2)c1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
1 meas.
MOL
3D
#5188
Ir(3)
donors: {"N": 6}
Cc1ccnc(-c2cc(C(=O)NCCc3c[nH]c4ccccc34)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
MOL
3D
#5187
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.FC(F)(F)c1c[c-]c(-n2cc3ccccc3n2)cc1.[Cl-]
4 meas.
MOL
3D
#5186
Ir(3)
donors: {"N": 2}
CC(C)c1c[c-]c(-n2cc3ccccc3n2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
7 meas.
MOL
3D
#5185
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Cc1c[c-]c(-n2cc3ccccc3n2)cc1.[Cl-]
4 meas.
MOL
3D
#5184
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[c-]1ccccc1-n1cc2ccccc2n1
7 meas.
MOL
3D
#5183
Ir(3)
donors: {"N": 5, "P": 1}
C(=N/CCc1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
7 meas.
MOL
3D
#5182
Ir(3)
donors: {"N": 5, "P": 1}
C(=N/c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
7 meas.
MOL
3D
#5181
Ir(3)
donors: {"N": 5, "P": 1}
C(=N/C1CCCCC1)\c1ccccc1P(c1ccccc1)c1ccccc1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
7 meas.
MOL
3D
#5180
Ir(3)
donors: {"N": 3, "P": 1}
C(=N/CCc1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
MOL
3D
#5179
Ir(3)
donors: {"N": 3, "P": 1}
C(=N/c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
MOL
3D
#5178
Ir(3)
donors: {"N": 3, "P": 1}
C(=N/C1CCCCC1)\c1ccccc1P(c1ccccc1)c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
MOL
3D
#5177
Ir(3)
donors: {"N": 5}
Cn1c2ccccc2c2ccnc(-c3ccc4ccccc4n3)c21.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
6 meas.
MOL
3D
#5176
Ir(3)
donors: {"N": 5}
Cn1c2ccccc2c2ccnc(-c3ccccn3)c21.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
6 meas.
MOL
3D
#5175
Ir(3)
donors: {"N": 5}
Cn1c2ccccc2c2ccnc(-c3ccc4ccccc4n3)c21.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5174
Ir(3)
donors: {"N": 5}
Cn1c2ccccc2c2ccnc(-c3ccccn3)c21.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5173
Ir(3)
donors: {"N": 6}
Fc1c(F)c(F)c(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)c(F)c1F.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5172
Ir(3)
donors: {"N": 6}
Fc1cc(F)c(F)c(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)c1F.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5171
Ir(3)
donors: {"N": 6}
Fc1cc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc(F)c1F.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5170
Ir(3)
donors: {"N": 6}
Fc1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc1F.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5169
Ir(3)
donors: {"N": 6}
Fc1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#5168
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc1
10 meas.
MOL
3D
#5167
Ir(3)
donors: {"N": 3}
C(=N/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc2ccccc2n1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
3 meas.
MOL
3D
#5166
Ir(3)
donors: {"N": 3}
C(=N/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc2ccccc2n1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#5165
Ir(3)
donors: {"N": 3}
C(=N/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccccn1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
3 meas.
MOL
3D
#5164
Ir(3)
donors: {"N": 3}
C(=N/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#5163
Ir(3)
donors: {"N": 3}
C(=N/c1ccc(-n2c3ccccc3c3ccccc32)cc1)\c1ccccn1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
3 meas.
MOL
3D
#5162
Ir(3)
donors: {"N": 3}
C(=N/c1ccc(-n2c3ccccc3c3ccccc32)cc1)\c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#5161
Ir(3)
donors: {"N": 6}
CCCn1cc(-c2[c-]cccc2)nn1.CCCn1cc(-c2[c-]cccc2)nn1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
2 meas.
MOL
3D
#5160
Ir(3)
donors: {"N": 6}
[c-]1ccccc1-c1cn(Cc2ccccc2)nn1.[c-]1ccccc1-c1cn(Cc2ccccc2)nn1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
2 meas.
MOL
3D
#5159
Ir(3)
donors: {"N": 6}
O=C1c2ccccc2C(=O)c2cc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccc(Oc4ccccc4)cc3)ccc21.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
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38/142 (7058 total)