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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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#3958
Ru(2)
donors: {"N": 5}
C=C(/C=N/c1c(C(C)(C)C)cccc1C(C)(C)C)/N=C(C)/C=N/c1c(C(C)(C)C)cccc1C(C)(C)C.[Cl-].c1cnc2c(c1)ccc1cccnc12
7 meas.
MOL
3D
#3957
Ru(2)
donors: {"N": 6}
CC(C)(C)c1cccc(C(C)(C)C)c1/N=C/c1cccc(/C=N/c2c(C(C)(C)C)cccc2C(C)(C)C)n1.Cc1cccnc1/N=N/c1ccccc1.[Cl-]
7 meas.
MOL
3D
#3956
Ru(2)
donors: {"N": 5}
CC(C)(C)c1cccc(C(C)(C)C)c1/N=C/c1cccc(/C=N/c2c(C(C)(C)C)cccc2C(C)(C)C)n1.[Cl-].c1ccc(-c2ccccn2)nc1
7 meas.
MOL
3D
#3955
Ru(2)
donors: {"N": 6}
CC(C)(C)c1cccc(C(C)(C)C)c1/N=C/c1cccc(/C=N/c2c(C(C)(C)C)cccc2C(C)(C)C)n1.[Cl-].c1ccc(/N=N/c2ccccn2)cc1
7 meas.
MOL
3D
#3954
Ru(3)
donors: {"N": 3}
CC(C)(C)c1cccc(C(C)(C)C)c1/N=C/c1cccc(/C=N/c2c(C(C)(C)C)cccc2C(C)(C)C)n1.[Cl-].[Cl-].[Cl-]
7 meas.
MOL
3D
#3953
Ru(2)
donors: {"N": 4, "P": 2}
Cc1ccc(-c2ccc(C)cn2)nc1.Cn1ccnc1.[Cl-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3952
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NNC(=O)c1ccncc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#3951
Ru(2)
donors: {"N": 4}
C/C(=N\NC(N)=S)c1ccncc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#3950
Ru(2)
donors: {"N": 4}
C/C(=N\NC(N)=S)c1cccnc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#3949
Ru(2)
donors: {"N": 3}
CCCCCCCC(=O)N/N=C(\C)c1ccncc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#3948
Ru(2)
donors: {"N": 3}
CCCCCCCC(=O)N/N=C(\C)c1cccnc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#3947
Ru(2)
donors: {"N": 2}
CCCCCCCC(=O)NN.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#3946
Ru(2)
donors: {"S": 4, "O": 2}
C1CSCCSCCS1.COc1cc([O-])c2c(c1)OC(c1ccccc1)CC2=O.CS(C)=O
4 meas.
MOL
3D
#3945
Ru(2)
donors: {"S": 4, "O": 2}
C1CSCCSCCS1.CS(C)=O.O=C1CC(c2ccccc2)Oc2cc(O)cc([O-])c21
4 meas.
MOL
3D
#3944
Ru(2)
donors: {"S": 4, "O": 3}
C1CSCCSCCS1.CS(C)=O.O=C1CC(c2ccc([O-])c([O-])c2)Oc2cc(O)ccc21
4 meas.
MOL
3D
#3943
Ru(3)
donors: {"O": 1}
O.O.O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1[O-].[Cl-].[Cl-]
1 meas.
MOL
3D
#3942
Ru(3)
donors: {"N": 3}
CCCn1c(-c2ccccn2)nc2ccccc21.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#3941
Ru(3)
donors: {"N": 2}
[Cl-].[Cl-].[Cl-].c1ccc(-c2nc3ccccc3s2)nc1
1 meas.
MOL
3D
#3940
Ru(3)
donors: {"N": 2}
[Cl-].[Cl-].[Cl-].c1ccc(-c2nc3ccccc3o2)nc1
1 meas.
MOL
3D
#3939
Ru(3)
donors: {"N": 3}
[Cl-].[Cl-].[Cl-].c1ccc(-c2nc3ccccc3[nH]2)nc1
1 meas.
MOL
3D
#3938
Ru(2)
donors: {"P": 2}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3937
Ru(2)
donors: {"P": 2, "N": 6}
CP(c1ccccc1)c1ccccc1.CP(c1ccccc1)c1ccccc1.[Cl-].c1cnn(C(n2cccn2)n2cccn2)c1
2 meas.
MOL
3D
#3936
Ru(2)
donors: {"P": 2, "N": 6}
[Cl-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
2 meas.
MOL
3D
#3935
Ru(2)
donors: {"P": 2, "N": 6}
[Cl-].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
2 meas.
MOL
3D
#3934
Ru(2)
donors: {"P": 2, "N": 6}
[Cl-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
2 meas.
MOL
3D
#3933
Ru(2)
donors: {"S": 1, "O": 1, "N": 3}
CS(C)=O.CS(C)=O.[Cl-].c1cnn(C(n2cccn2)n2cccn2)c1
2 meas.
MOL
3D
#3932
Ru(2)
donors: {"N": 8}
CC#N.CC#N.[Cl-].c1cnn(C(n2cccn2)n2cccn2)c1
2 meas.
MOL
3D
#3931
Ru(2)
donors: {"O": 2, "P": 1}
CCOC(=O)c1ccccc1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)C2CCCCCC2)cc1
2 meas.
MOL
3D
#3930
Ru(2)
donors: {"P": 1, "O": 2}
C1=CCC(P(c2ccccc2)c2ccccc2)CC=C1.CCOC(=O)c1ccccc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#3929
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)C2CCCCCC2)cc1
2 meas.
MOL
3D
#3928
Ru(2)
donors: {"P": 1}
C1=CCC(P(c2ccccc2)c2ccccc2)CC=C1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#3927
Ru(2)
donors: {"N": 2, "S": 1, "P": 4}
O=c1[nH]c([S-])nc2ccccc12.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#3926
Ru(2)
donors: {"S": 1, "N": 1, "P": 4}
O=C(O)c1ccc([S-])nc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#3925
Ru(2)
donors: {"S": 1, "N": 1, "P": 4}
[S-]c1nccs1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#3924
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.O=C([O-])c1cc2ccccc2cn1.[Cl-]
5 meas.
MOL
3D
#3923
Ru(2)
donors: {"N": 8}
C/C=C/C=C/c1nc2c3cccnc3c3ncccc3c2[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#3922
Ru(2)
donors: {"N": 6}
CN(C)c1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#3921
Ru(2)
donors: {"N": 8}
COc1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#3920
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#3919
Ru(2)
donors: {"N": 6}
Cc1cccc(CC(NC(=O)c2ccc(Cl)c(Cl)c2)C(=O)NCC#N)c1.Cc1cccc(CC(NC(=O)c2ccc(Cl)c(Cl)c2)C(=O)NCC#N)c1.c1ccc(-c2ccccn2)nc1.c1cc...
3 meas.
MOL
3D
#3918
Ru(2)
donors: {"N": 2}
C/C(=N/O)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#3917
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Nc1ccc(/N=C/c2ccccn2)cc1.[Cl-]
2 meas.
MOL
3D
#3916
Ru(2)
donors: {"N": 2, "O": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.OCOc1ccccc1.[Cl-]
2 meas.
MOL
3D
#3915
Ru(2)
donors: {"N": 2, "O": 2}
Cc1cccc(C)c1/N=C/c1ccccn1.OCOc1ccccc1.[Cl-]
2 meas.
MOL
3D
#3914
Ru(2)
donors: {"O": 2, "N": 2}
OCOc1ccccc1.[Cl-].c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#3913
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc(Cl)c(/N=C/c2ccccn2)c1.[I-]
4 meas.
MOL
3D
#3912
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Ic1ccc(/N=C/c2ccccn2)cc1.[I-]
4 meas.
MOL
3D
#3911
Ru(2)
donors: {"N": 2}
Brc1ccc(/N=C/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[I-]
4 meas.
MOL
3D
#3910
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc(/N=C/c2ccccn2)cc1.[I-]
4 meas.
MOL
3D
#3909
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Fc1ccc(/N=C/c2ccccn2)cc1.[I-]
4 meas.
MOL
3D
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63/142 (7058 total)