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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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#3108
Ru(2)
donors: {"N": 3}
N#[O+].[Cl-].[Cl-].[OH-].c1ccncc1.c1ccncc1
2 meas.
MOL
3D
#3107
Ru(2)
donors: {"N": 3}
Cc1cccnc1.Cc1cccnc1.N#[O+].[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#3106
Ru(2)
donors: {"N": 3}
N#[O+].[Cl-].[Cl-].[Cl-].c1ccncc1.c1ccncc1
4 meas.
MOL
3D
#3105
Ru(2)
donors: {"N": 3}
Cc1ccncc1.Cc1ccncc1.N#[O+].[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#3104
Ru(2)
donors: {"N": 3}
COC(=O)c1cccnc1.COC(=O)c1cccnc1.N#[O+].[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#3103
Ru(2)
donors: {"N": 3}
CCOC(=O)c1cccnc1.CCOC(=O)c1cccnc1.N#[O+].[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#3102
Ru(2)
donors: {"N": 3}
COC(=O)c1ccncc1.COC(=O)c1ccncc1.N#[O+].[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#3101
Ru(2)
donors: {"N": 3}
CCOC(=O)c1ccncc1.CCOC(=O)c1ccncc1.N#[O+].[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#3100
Ru(3)
donors: {"N": 5, "O": 1}
[Cl-].[Cl-].[Cl-].[N]=O.c1c[nH]cn1.c1c[nH]cn1
1 meas.
MOL
3D
#3099
Ru(3)
donors: {"N": 5, "O": 1}
[Cl-].[Cl-].[Cl-].[N]=O.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
1 meas.
MOL
3D
#3098
Ru(2)
donors: {"N": 8}
Brc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#3097
Ru(2)
donors: {"N": 6}
Brc1ccc2nc3c4cccnc4c4ncccc4c3nc2n1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#3096
Ru(2)
donors: {"N": 6}
O=C(NCCCCCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccnc(-c2cc(C(=O)NCCCCCN3C(=O)c4cccc5cccc(c45)C3=O)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1...
1 meas.
MOL
3D
#3095
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(C(=O)NCCCCCN3C(=O)c4cccc5cccc(c45)C3=O)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#3094
Ru(2)
donors: {"N": 5}
Cc1c(C)c(C)c(C)c(C)c1C.O=C(CCC(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1)Nc1cc2cccnc2c2ncccc12.[Cl-]
3 meas.
MOL
3D
#3093
Ru(2)
donors: {"N": 5}
O=C(CCC(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1)Nc1cc2cccnc2c2ncccc12.[Cl-].c1ccccc1
3 meas.
MOL
3D
#3092
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.O=C(CCC(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1)Nc1cc2cccnc2c2ncccc12.[Cl-]
3 meas.
MOL
3D
#3091
Ru(2)
donors: {"N": 6}
C[n+]1[c-]n(-c2cccc(-c3ccccn3)n2)cc1.C[n+]1[c-]n(-c2cccc(-c3ccccn3)n2)cc1
2 meas.
MOL
3D
#3090
Ru(2)
donors: {"N": 6}
Cn1[c-][n+](-c2cc(C(=O)O)cc(-n3[c-][n+](C)cc3)n2)cc1.Cn1[c-][n+](-c2cc(C(=O)O)cc(-n3[c-][n+](C)cc3)n2)cc1
2 meas.
MOL
3D
#3089
Ru(2)
donors: {"N": 6}
Cn1[c-][n+](-c2cccc(-n3[c-][n+](C)cc3)n2)cc1.Cn1[c-][n+](-c2cccc(-n3[c-][n+](C)cc3)n2)cc1
2 meas.
MOL
3D
#3088
Ru(2)
donors: {"N": 6}
O=C(O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.O=C(O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1
4 meas.
MOL
3D
#3087
Ru(2)
donors: {"N": 6}
c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
4 meas.
MOL
3D
#3086
Ru(2)
donors: {"N": 6}
Cc1cc(C)c(/N=C/c2cccc(/C=N/c3c(C)cc(C)cc3C)n2)c(C)c1.Cc1cccnc1/N=N/c1ccccc1.[Cl-]
7 meas.
MOL
3D
#3085
Ru(2)
donors: {"N": 6}
Cc1cc(C)c(/N=C/c2cccc(/C=N/c3c(C)cc(C)cc3C)n2)c(C)c1.[Cl-].c1ccc(/N=N/c2ccccn2)cc1
7 meas.
MOL
3D
#3084
Ru(2)
donors: {"N": 6}
Cc1cc(C)c(/N=C/c2cccc(/C=N/c3c(C)cc(C)cc3C)n2)c(C)c1.Cc1ccccc1/N=N/c1ccccn1.[Cl-]
7 meas.
MOL
3D
#3083
Ru(2)
donors: {"N": 5}
Cc1cc(C)c(/N=C/c2cccc(/C=N/c3c(C)cc(C)cc3C)n2)c(C)c1.[Cl-].c1cnc2c(c1)ccc1cccnc12
7 meas.
MOL
3D
#3082
Ru(2)
donors: {"N": 5}
Cc1cc(C)c(/N=C/c2cccc(/C=N/c3c(C)cc(C)cc3C)n2)c(C)c1.[Cl-].c1ccc(-c2ccccn2)nc1
7 meas.
MOL
3D
#3081
Ru(3)
donors: {"N": 4, "O": 1}
Cc1cc(C)c(/N=C/c2cccc(/C=N/c3c(C)cc(C)cc3C)n2)c(C)c1.O=C([O-])c1ccccn1.[Cl-]
7 meas.
MOL
3D
#3080
Ru(2)
donors: {"N": 2}
COc1ccc(/C=C(\C#N)c2cccnc2)cc1OC.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#3079
Ru(2)
donors: {"N": 2}
COc1ccc(/C=C(\C#N)c2cccnc2)cc1O.Cc1ccccc1.[Cl-].[Cl-]
8 meas.
MOL
3D
#3078
Ru(2)
donors: {"N": 2}
COc1ccc(/C=C(\C#N)c2cccnc2)cc1O.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
8 meas.
MOL
3D
#3077
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc2[nH]c(=S)[nH]c2c1.[Cl-].[Cl-]
1 meas.
MOL
3D
#3076
Ru(2)
donors: {"N": 2}
COC(=O)c1ccc2[nH]c(=S)[nH]c2c1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
1 meas.
MOL
3D
#3075
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(O)c1ccc2[nH]c(=S)[nH]c2c1.[Cl-].[Cl-]
1 meas.
MOL
3D
#3074
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.S=c1[nH]c2ccccc2[nH]1.[Cl-].[Cl-]
1 meas.
MOL
3D
#3073
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.S=c1[nH]c2ccccc2o1.[Cl-].[Cl-]
5 meas.
MOL
3D
#3072
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.O=C(O)c1ccc[nH]c1=S.[Cl-].[Cl-]
1 meas.
MOL
3D
#3071
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=c1cc[nH]c(=S)[nH]1.[Cl-].[Cl-]
1 meas.
MOL
3D
#3070
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cn1c(=S)sc2ccccc21.[Cl-].[Cl-]
1 meas.
MOL
3D
#3069
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.S=c1[nH]c2cc(Cl)ccc2s1.[Cl-].[Cl-]
1 meas.
MOL
3D
#3068
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.S=c1[nH]c2ccccc2s1.[Cl-].[Cl-]
5 meas.
MOL
3D
#3067
Ru(2)
donors: {"N": 5}
CN(C)C(=N)NC(=N)N.[Cl-].c1ccccc1
4 meas.
MOL
3D
#3066
Ru(2)
donors: {"N": 5}
CN(C)C(=N)NC(=N)N.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#3065
Ru(2)
donors: {"N": 8}
Cc1cc(C)nc(-c2nc(C)cc(C)n2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#3064
Ru(2)
donors: {"N": 6}
Cc1cnc(-c2cc(C)c(C)cn2)cc1C.Cc1cnc(-c2cc(C)c(C)cn2)cc1C.Cc1cnc(-c2cc(C)c(C)cn2)cc1C
1 meas.
MOL
3D
#3063
Ru(2)
donors: {"N": 6}
Cc1ccc(-c2ccc(C)c(C)n2)nc1C.Cc1ccc(-c2ccc(C)c(C)n2)nc1C.Cc1ccc(-c2ccc(C)c(C)n2)nc1C
1 meas.
MOL
3D
#3062
Ru(2)
donors: {"N": 6}
Cc1cc(C)nc(-c2cc(C)cc(C)n2)c1.Cc1cc(C)nc(-c2cc(C)cc(C)n2)c1.Cc1cc(C)nc(-c2cc(C)cc(C)n2)c1
1 meas.
MOL
3D
#3061
Ru(2)
donors: {"N": 6}
Cc1cnc(-c2cc(C)c(C)cn2)cc1C.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#3060
Ru(2)
donors: {"N": 6}
Cc1ccc(-c2ccc(C)c(C)n2)nc1C.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#3059
Ru(2)
donors: {"N": 6}
Cc1cc(C)nc(-c2cc(C)cc(C)n2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
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80/142 (7058 total)