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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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Ox. State
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#4158
Ru(2)
donors: {"N": 6}
c1cc2c3c(cccc3c1)-c1nc3cc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)ccc3nc1-2.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#4157
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.c1cc2c3c(cccc3c1)-c1nc3cc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)ccc3nc1-2
6 meas.
MOL
3D
#4156
Ru(2)
donors: {"N": 3, "P": 2}
Cc1ccnc(-c2cc(C)ccn2)c1.[Cl-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccncc1
2 meas.
MOL
3D
#4155
Ru(2)
donors: {"N": 2, "O": 1, "P": 2}
Cc1ccnc(-c2cc(C)ccn2)c1.[C-]#[O+].[Cl-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#4154
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.S=C(N/N=C/c1cccs1)Nc1ccccc1.[Cl-]
3 meas.
MOL
3D
#4153
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Fc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1.[Cl-]
3 meas.
MOL
3D
#4152
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C1C=CC(=O)c2c([O-])cccc21
7 meas.
MOL
3D
#4151
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C1C=C([O-])C(=O)c2ccccc21
7 meas.
MOL
3D
#4150
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.CC1=CC(=O)c2c([O-])cccc2C1=O.Cc1ccc(C(C)C)cc1
7 meas.
MOL
3D
#4149
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1
7 meas.
MOL
3D
#4148
Ru(2)
donors: {"N": 4}
O=C(Nc1cc(Br)ccc1Br)c1ccccn1.O=C(Nc1cc(Br)ccc1Br)c1ccccn1.[I-].[I-]
3 meas.
MOL
3D
#4147
Ru(2)
donors: {"N": 4}
O=C(Nc1ccc(Br)cc1Br)c1ccccn1.O=C(Nc1ccc(Br)cc1Br)c1ccccn1.[I-].[I-]
4 meas.
MOL
3D
#4146
Ru(2)
donors: {"N": 4}
O=C(Nc1ccc(Br)cc1)c1ccccn1.O=C(Nc1ccc(Br)cc1)c1ccccn1.[I-].[I-]
4 meas.
MOL
3D
#4145
Ru(2)
donors: {"N": 4}
O=C(Nc1cccc(Br)c1)c1ccccn1.O=C(Nc1cccc(Br)c1)c1ccccn1.[I-].[I-]
3 meas.
MOL
3D
#4144
Ru(2)
donors: {"N": 4}
O=C(Nc1ccccc1Br)c1ccccn1.O=C(Nc1ccccc1Br)c1ccccn1.[I-].[I-]
3 meas.
MOL
3D
#4143
Ru(2)
donors: {"N": 4}
O=C(Nc1cc(Cl)ccc1Cl)c1ccccn1.O=C(Nc1cc(Cl)ccc1Cl)c1ccccn1.[I-].[I-]
3 meas.
MOL
3D
#4142
Ru(2)
donors: {"N": 4}
O=C(Nc1ccc(Cl)cc1Cl)c1ccccn1.O=C(Nc1ccc(Cl)cc1Cl)c1ccccn1.[I-].[I-]
4 meas.
MOL
3D
#4141
Ru(2)
donors: {"N": 4}
O=C(Nc1ccc(Cl)cc1)c1ccccn1.O=C(Nc1ccc(Cl)cc1)c1ccccn1.[I-].[I-]
4 meas.
MOL
3D
#4140
Ru(2)
donors: {"N": 4}
O=C(Nc1cccc(Cl)c1)c1ccccn1.O=C(Nc1cccc(Cl)c1)c1ccccn1.[I-].[I-]
3 meas.
MOL
3D
#4139
Ru(2)
donors: {"N": 4}
O=C(Nc1ccccc1Cl)c1ccccn1.O=C(Nc1ccccc1Cl)c1ccccn1.[I-].[I-]
3 meas.
MOL
3D
#4138
Ru(2)
donors: {"N": 4}
O=C(Nc1cc(F)ccc1F)c1ccccn1.O=C(Nc1cc(F)ccc1F)c1ccccn1.[I-].[I-]
3 meas.
MOL
3D
#4137
Ru(2)
donors: {"N": 4}
O=C(Nc1ccc(F)cc1F)c1ccccn1.O=C(Nc1ccc(F)cc1F)c1ccccn1.[I-].[I-]
4 meas.
MOL
3D
#4136
Ru(2)
donors: {"N": 4}
O=C(Nc1ccc(F)cc1)c1ccccn1.O=C(Nc1ccc(F)cc1)c1ccccn1.[I-].[I-]
4 meas.
MOL
3D
#4135
Ru(2)
donors: {"N": 4}
O=C(Nc1ccccc1F)c1ccccn1.O=C(Nc1ccccc1F)c1ccccn1.[I-].[I-]
3 meas.
MOL
3D
#4134
Ru(2)
donors: {"N": 4}
O=C(Nc1ccccc1)c1ccccn1.O=C(Nc1ccccc1)c1ccccn1.[I-].[I-]
4 meas.
MOL
3D
#4133
Ru(2)
donors: {"N": 4}
O=C(Nc1cc(Br)ccc1Br)c1ccccn1.O=C(Nc1cc(Br)ccc1Br)c1ccccn1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4132
Ru(2)
donors: {"N": 4}
O=C(Nc1ccc(Br)cc1Br)c1ccccn1.O=C(Nc1ccc(Br)cc1Br)c1ccccn1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4131
Ru(2)
donors: {"N": 4}
O=C(Nc1ccc(Br)cc1)c1ccccn1.O=C(Nc1ccc(Br)cc1)c1ccccn1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4130
Ru(2)
donors: {"N": 4}
O=C(Nc1cccc(Br)c1)c1ccccn1.O=C(Nc1cccc(Br)c1)c1ccccn1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4129
Ru(2)
donors: {"N": 4}
O=C(Nc1ccccc1Br)c1ccccn1.O=C(Nc1ccccc1Br)c1ccccn1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4128
Ru(2)
donors: {"N": 4}
O=C(Nc1cc(Cl)ccc1Cl)c1ccccn1.O=C(Nc1cc(Cl)ccc1Cl)c1ccccn1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4127
Ru(2)
donors: {"N": 4}
O=C(Nc1ccc(Cl)cc1Cl)c1ccccn1.O=C(Nc1ccc(Cl)cc1Cl)c1ccccn1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4126
Ru(2)
donors: {"N": 4}
O=C(Nc1ccc(Cl)cc1)c1ccccn1.O=C(Nc1ccc(Cl)cc1)c1ccccn1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4125
Ru(2)
donors: {"N": 4}
O=C(Nc1cccc(Cl)c1)c1ccccn1.O=C(Nc1cccc(Cl)c1)c1ccccn1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4124
Ru(2)
donors: {"N": 4}
O=C(Nc1ccccc1Cl)c1ccccn1.O=C(Nc1ccccc1Cl)c1ccccn1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4123
Ru(2)
donors: {"N": 4}
O=C(Nc1cc(F)ccc1F)c1ccccn1.O=C(Nc1cc(F)ccc1F)c1ccccn1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4122
Ru(2)
donors: {"N": 4}
O=C(Nc1ccc(F)cc1F)c1ccccn1.O=C(Nc1ccc(F)cc1F)c1ccccn1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4121
Ru(2)
donors: {"N": 4}
O=C(Nc1ccc(F)cc1)c1ccccn1.O=C(Nc1ccc(F)cc1)c1ccccn1.[Cl-].[Cl-]
4 meas.
MOL
3D
#4120
Ru(2)
donors: {"N": 4}
O=C(Nc1ccccc1F)c1ccccn1.O=C(Nc1ccccc1F)c1ccccn1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4119
Ru(2)
donors: {"N": 4}
O=C(Nc1ccccc1)c1ccccn1.O=C(Nc1ccccc1)c1ccccn1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4118
Ru(2)
donors: {"N": 8}
c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
10 meas.
MOL
3D
#4117
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
10 meas.
MOL
3D
#4116
Ru(2)
donors: {"O": 1}
C/C([O-])=C/C(=O)c1cccc(C(F)(F)F)c1.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
3 meas.
MOL
3D
#4115
Ru(2)
donors: {"O": 1}
Cc1c(C)c(C)c(C)c(C)c1C.O=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.[Cl-]
3 meas.
MOL
3D
#4114
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.[Cl-]
3 meas.
MOL
3D
#4113
Ru(2)
donors: {"O": 1, "N": 5}
[O-]c1cccc2cccnc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#4112
Ru(2)
donors: {"O": 1, "N": 5}
[O-]c1ccccc1-c1nc2ccccc2s1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4111
Ru(2)
donors: {"O": 1, "N": 5}
[O-]c1ccccc1-c1nc2ccccc2s1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#4110
Ru(2)
donors: {"O": 1, "N": 6}
[O-]c1cccc2nc3c4ccccc4c4ccccc4c3nc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4109
Ru(2)
donors: {"O": 1, "N": 6}
[O-]c1cccc2nc3c4ccccc4c4ccccc4c3nc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
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