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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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#2958
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.O=C(NCCCCCCCCn1ccnc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-].[Cl-]
3 meas.
MOL
3D
#2957
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.O=C(NCCCCCCn1ccnc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-].[Cl-]
3 meas.
MOL
3D
#2956
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.O=C(NCCCCn1ccnc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-].[Cl-]
3 meas.
MOL
3D
#2955
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.O=C(NCCCn1ccnc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-].[Cl-]
3 meas.
MOL
3D
#2954
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.O=C(NCCn1ccnc1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[Cl-].[Cl-]
3 meas.
MOL
3D
#2953
Ru(2)
donors: {"O": 1, "N": 1}
CC1C(C([O-])=C2C(=O)c3ccccc3C2=O)c2ccccc2N1C.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2952
Ru(2)
donors: {"N": 1, "O": 1}
CC1Nc2ccccc2C1C([O-])=C1C(=O)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2951
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C1C(=C([O-])C2=COCCC2)C(=O)c2ccccc21.[Cl-]
4 meas.
MOL
3D
#2950
Ru(2)
donors: {"O": 1}
Cc1ccc(C(C)C)cc1.O=C1C(=C([O-])C2=COCC2)C(=O)c2ccccc21.[Cl-]
4 meas.
MOL
3D
#2949
Ru(2)
donors: {"O": 1}
CO/C(C)=C/C([O-])=C1C(=O)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2948
Ru(2)
donors: {"O": 1}
CC(C)CO/C=C/C([O-])=C1C(=O)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2947
Ru(2)
donors: {"O": 1}
CCCCO/C=C/C([O-])=C1C(=O)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2946
Ru(2)
donors: {"N": 1, "O": 1}
COC(=O)c1cccc(/N=C/c2cccc(OC)c2[O-])c1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#2945
Ru(2)
donors: {"N": 1, "O": 1}
COC(=O)c1cccc(/N=C/c2ccc3ccccc3c2[O-])c1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#2944
Ru(2)
donors: {"N": 1, "O": 1}
COC(=O)c1cccc(/N=C/c2ccccc2[O-])c1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#2943
Ru(2)
donors: {"N": 3}
COC(=O)c1cccc(/N=C/c2ncc[nH]2)c1.Cc1ccc(C(C)C)cc1.[I-]
1 meas.
MOL
3D
#2942
Ru(2)
donors: {"N": 3}
COC(=O)c1cccc(/N=C/c2ncc[nH]2)c1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#2941
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(O)c1cccc(/N=C/c2ncc[nH]2)c1.[Cl-]
1 meas.
MOL
3D
#2940
Ru(2)
donors: {"N": 2}
COC(=O)c1cccc(/N=C/c2ccccn2)c1.Cc1ccc(C(C)C)cc1.[I-]
1 meas.
MOL
3D
#2939
Ru(2)
donors: {"N": 2}
COC(=O)c1cccc(/N=C/c2ccccn2)c1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#2938
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(O)c1cccc(/N=C/c2ccccn2)c1.[Cl-]
1 meas.
MOL
3D
#2937
Ru(2)
donors: {"N": 2}
CC(C)(C)c1ccc(/N=C2C(=N/c3ccc(C(C)(C)C)cc3)/c3cccc4cccc/2c34)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#2936
Ru(2)
donors: {"N": 6}
Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12
5 meas.
MOL
3D
#2935
Ru(2)
donors: {"N": 6}
Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12
5 meas.
MOL
3D
#2934
Ru(2)
donors: {"N": 5, "S": 1}
COc1cc(/C=N\N=C(\N)[S-])c(Br)c(Br)c1OC.c1ccc(-c2ccccn2)nc1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
5 meas.
MOL
3D
#2933
Ru(2)
donors: {"N": 7, "S": 1}
COc1cc(/C=N\N=C(\N)[S-])c(Br)c(Br)c1OC.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#2932
Ru(2)
donors: {"N": 7, "S": 1}
COc1cc(/C=N\N=C(\N)[S-])c(Br)c(Br)c1OC.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#2931
Ru(2)
donors: {"N": 3}
Cc1c2ccccn2[c-][n+]1-c1ncccn1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2930
Ru(2)
donors: {"N": 2}
Cc1c2ccccn2[c-][n+]1-c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2929
Ru(2)
donors: {"N": 4}
Cc1cc(C)n(-c2c(O)ccc(O)c2-n2nc(C)cc2C)n1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#2928
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cn1cnc(-c2ccccn2)n1.[Cl-]
2 meas.
MOL
3D
#2927
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cn1ncnc1-c1ccccn1.[Cl-]
2 meas.
MOL
3D
#2926
Ru(2)
donors: {"N": 6}
NC(=[NH2+])Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4...
6 meas.
MOL
3D
#2925
Ru(2)
donors: {"N": 6}
NC(=[NH2+])Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4...
6 meas.
MOL
3D
#2924
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[I-].[O-]c1ccc(Cl)c2cccnc12
5 meas.
MOL
3D
#2923
Ru(2)
donors: {"N": 7}
[Cl-].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c3ccccc3cc2c1
1 meas.
MOL
3D
#2922
Ru(2)
donors: {"N": 4}
COC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#2921
Ru(2)
donors: {"N": 4}
COC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.Cc1ccccc1.[Cl-]
4 meas.
MOL
3D
#2920
Ru(2)
donors: {"N": 4}
COC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#2919
Ru(2)
donors: {"O": 1, "N": 4}
Cc1ccccc1.O=[N+]([O-])c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Cl-]
4 meas.
MOL
3D
#2918
Ru(2)
donors: {"O": 1, "N": 4}
O=[N+]([O-])c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#2917
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Cl-]
4 meas.
MOL
3D
#2916
Ru(2)
donors: {"N": 4}
Cc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.Cc1ccccc1.[Cl-]
4 meas.
MOL
3D
#2915
Ru(2)
donors: {"N": 4}
Cc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#2914
Ru(2)
donors: {"N": 4}
Cc1ccccc1.Clc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Cl-]
4 meas.
MOL
3D
#2913
Ru(2)
donors: {"N": 4}
Cc1ccccc1.Clc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[Cl-]
4 meas.
MOL
3D
#2912
Ru(2)
donors: {"N": 4}
Cc1ccccc1.Clc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[Cl-]
4 meas.
MOL
3D
#2911
Ru(2)
donors: {"N": 2}
CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.[Cl-].c1ccccc1
5 meas.
MOL
3D
#2910
Ru(2)
donors: {"N": 2}
COC(=O)c1ccnc(-c2cc(C(=O)OC)ccn2)c1.[Cl-].c1ccccc1
5 meas.
MOL
3D
#2909
Ru(2)
donors: {"N": 2}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.[Cl-].c1ccccc1
5 meas.
MOL
3D
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83/142 (7058 total)