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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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#2908
Ru(2)
donors: {"N": 2}
CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#2907
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Cl-]
8 meas.
MOL
3D
#2906
Ru(2)
donors: {"N": 3}
Cc1c2cccc[n+]2[c-]n1-c1ncccn1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2905
Ru(2)
donors: {"N": 2}
Cc1c2cccc[n+]2[c-]n1-c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2904
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccccc1.O=C([O-])c1cccc(F)n1.[Cl-]
8 meas.
MOL
3D
#2903
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccccc1.O=C([O-])c1ccccn1.[Cl-]
11 meas.
MOL
3D
#2902
Ru(2)
donors: {"O": 1, "N": 1}
O=C([O-])c1cccc(F)n1.[Cl-].c1ccccc1
8 meas.
MOL
3D
#2901
Ru(2)
donors: {"N": 6}
CCOC(=O)c1cc(-c2cccc3cccnc23)nc(-c2cccc3cccnc23)c1.c1cc(-c2cccc3cccnc23)nc(-c2cccc3cccnc23)c1
1 meas.
MOL
3D
#2900
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NC(=S)NN=c1c(=O)c2ccccc2c1=O.[Cl-]
3 meas.
MOL
3D
#2899
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NC(=O)NN=c1c(=O)c2ccccc2c1=O.[Cl-]
3 meas.
MOL
3D
#2898
Ru(2)
donors: {"N": 7}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2nccc3c2[nH]c2ccccc23)nc1
4 meas.
MOL
3D
#2897
Ru(2)
donors: {"N": 7}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nccc3c2[nH]c2ccccc23)nc1
4 meas.
MOL
3D
#2896
Ru(2)
donors: {"N": 6}
Clc1c[c-]c(-c2nccc3c2[nH]c2ccccc23)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#2895
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Clc1c[c-]c(-c2nccc3c2[nH]c2ccccc23)cc1
6 meas.
MOL
3D
#2894
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=[Se])Nc1ccccc1)c1ccco1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2893
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=[Se])Nc1ccccc1)c1cccs1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2892
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(NC(=[Se])Nc1ccccc1)c1ccccc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#2891
Ru(2)
donors: {"N": 8}
CN1C(=O)/C(=N\NC(=S)Nc2ccc(Cl)cc2)c2ccccc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#2890
Ru(2)
donors: {"N": 8}
CN1C(=O)/C(=N\NC(N)=S)c2ccccc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#2889
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
4 meas.
MOL
3D
#2888
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
4 meas.
MOL
3D
#2887
Ru(2)
donors: {"N": 8}
Cc1ccc2c(n1)c1nc(C)ccc1c1nc3ccccc3nc21.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
4 meas.
MOL
3D
#2886
Ru(2)
donors: {"N": 8}
Cc1ccc2c(n1)c1nc(C)ccc1c1nc3ccccc3nc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#2885
Ru(3)
donors: {"N": 3, "O": 1, "As": 1}
C=C1C(/N=C/c2ccccc2[O-])=C(C)N(C)N1c1ccccc1.[Cl-].[Cl-].c1ccc([As](c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#2884
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(N)c1
3 meas.
MOL
3D
#2883
Ru(2)
donors: {"N": 4, "O": 1}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c([N+](=O)[O-])c1
3 meas.
MOL
3D
#2882
Ru(3)
donors: {"N": 4, "Cl": 2}
N.N.N.N.[Cl-].[Cl-]
6 meas.
MOL
3D
#2881
Ru(2)
donors: {"N": 6}
Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(N)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#2880
Ru(2)
donors: {"O": 1, "N": 4}
O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c([N+](=O)[O-])c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#2879
Ru(2)
donors: {"N": 8}
FC1(F)Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2O1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#2878
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.FC1(F)Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2O1
2 meas.
MOL
3D
#2877
Ru(2)
donors: {"N": 2}
CCCCOC(=O)[C@H](CC1CCCCC1)NCCN[C@@H](CC1CCCCC1)C(=O)OCCCC.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#2876
Ru(2)
donors: {"N": 2}
CCCOC(=O)[C@H](CC1CCCCC1)NCCN[C@@H](CC1CCCCC1)C(=O)OCCC.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#2875
Ru(2)
donors: {"N": 2}
CCOC(=O)[C@H](CC1CCCCC1)NCCN[C@@H](CC1CCCCC1)C(=O)OCC.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#2874
Ru(2)
donors: {"N": 2}
COC(=O)[C@H](CC1CCCCC1)NCCN[C@@H](CC1CCCCC1)C(=O)OC.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#2873
Ru(2)
donors: {"S": 3, "N": 3}
Cc1c(C)c(C)c(C)c(C)c1C.[S-]c1cc[nH+]cc1.[S-]c1cc[nH+]cc1.[S-]c1cc[nH+]cc1
1 meas.
MOL
3D
#2872
Ru(2)
donors: {"S": 3, "N": 3}
Cc1ccc(C(C)C)cc1.[S-]c1cc[nH+]cc1.[S-]c1cc[nH+]cc1.[S-]c1cc[nH+]cc1
1 meas.
MOL
3D
#2871
Ru(2)
donors: {"S": 3, "N": 3}
Cc1ccccc1.[S-]c1cc[nH+]cc1.[S-]c1cc[nH+]cc1.[S-]c1cc[nH+]cc1
1 meas.
MOL
3D
#2870
Ru(2)
donors: {"S": 3, "N": 3}
[S-]c1cc[nH+]cc1.[S-]c1cc[nH+]cc1.[S-]c1cc[nH+]cc1.c1ccccc1
1 meas.
MOL
3D
#2869
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Nc1ccc(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
3 meas.
MOL
3D
#2868
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Nc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1
3 meas.
MOL
3D
#2867
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Nc1ccc(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
3 meas.
MOL
3D
#2866
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Nc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1
3 meas.
MOL
3D
#2865
Ru(2)
donors: {"N": 6}
Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
8 meas.
MOL
3D
#2864
Ru(2)
donors: {"N": 6}
Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#2863
Ru(2)
donors: {"O": 2}
CCCCC(=O)[c-]1cccc1.CCCCC(=O)[c-]1cccc1
6 meas.
MOL
3D
#2862
Ru(2)
donors: {"O": 1}
CCCCC(=O)[c-]1cccc1.c1cc[cH-]c1
6 meas.
MOL
3D
#2861
Ru(2)
donors: {"N": 2}
O=C(NCCO)[c-]1cccc1.O=C(NCCO)[c-]1cccc1
6 meas.
MOL
3D
#2860
Ru(2)
donors: {"N": 1}
O=C(NCCO)[c-]1cccc1.c1cc[cH-]c1
6 meas.
MOL
3D
#2859
Ru(2)
donors: {"N": 1}
[Cl-].[NH3+]CCOC(=O)[c-]1cccc1.c1cc[cH-]c1
6 meas.
MOL
3D
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