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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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#3908
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc(Cl)c(/N=C/c2ccccn2)c1.[Br-]
4 meas.
MOL
3D
#3907
Ru(2)
donors: {"N": 2}
Brc1ccc(/N=C/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[Br-]
4 meas.
MOL
3D
#3906
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Clc1ccc(/N=C/c2ccccn2)cc1.[Br-]
4 meas.
MOL
3D
#3905
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Fc1ccc(/N=C/c2ccccn2)cc1.[Br-]
4 meas.
MOL
3D
#3904
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nnc3c4cccnc4c4ncccc4c3n2)nc1
5 meas.
MOL
3D
#3903
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nnc(-c3cnccn3)nc1c1cccnc12
5 meas.
MOL
3D
#3902
Ru(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccccc2c2[nH]c3ccc(Br)cc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3901
Ru(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccccc2c2[nH]c3ccc(Cl)cc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3900
Ru(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccccc2c2[nH]c3ccc(C)cc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3899
Ru(2)
donors: {"O": 2, "N": 4}
O=C([O-])CCC(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#3898
Ru(2)
donors: {"O": 2, "N": 4}
O=C([O-])C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#3897
Ru(2)
donors: {"N": 7}
Cc1ccc(C(C)C)cc1.S=C(N/N=C\c1ccc(N(c2ccccc2)c2ccc(/C=N\NC(=S)NC3CCCCC3)cc2)cc1)NC1CCCCC1.[Cl-]
5 meas.
MOL
3D
#3896
Ru(2)
donors: {"N": 2, "P": 1}
C[Se]c1ccccc1N=P(c1ccccc1)(c1ccccc1)c1cc2ccccc2[n-]1.Cc1ccc(C(C)C)cc1
4 meas.
MOL
3D
#3895
Ru(2)
donors: {"N": 2, "P": 1}
CSc1ccccc1N=P(c1ccccc1)(c1ccccc1)c1cc2ccccc2[n-]1.Cc1ccc(C(C)C)cc1
4 meas.
MOL
3D
#3894
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.c1ccc([Se]c2ccccc2N=P(c2ccccc2)(c2ccccc2)c2cc3ccccc3[n-]2)cc1
4 meas.
MOL
3D
#3893
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.c1ccc(Sc2ccccc2N=P(c2ccccc2)(c2ccccc2)c2cc3ccccc3[n-]2)cc1
4 meas.
MOL
3D
#3892
Ru(2)
donors: {"O": 2, "P": 1}
CCOC(=O)c1ccccc1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
MOL
3D
#3891
Ru(2)
donors: {"P": 1, "O": 2}
C=CC(=C)CCCP(c1ccccc1)c1ccccc1.CCOC(=O)c1ccccc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#3890
Ru(2)
donors: {"P": 1, "O": 2}
CCC(C)CCCP(c1ccccc1)c1ccccc1.CCOC(=O)c1ccccc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#3889
Ru(2)
donors: {"P": 1}
C=CC(=C)CCCP(c1ccccc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#3888
Ru(2)
donors: {"P": 1}
CCC(C)CCCP(c1ccccc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#3887
Ru(2)
donors: {"O": 1, "N": 2}
COc1ccc(/C([O-])=N/N=C(/C)c2ccco2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#3886
Ru(2)
donors: {"N": 2, "O": 1}
C/C(=N/N=C(\[O-])c1ccc(Cl)cc1)c1ccco1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#3885
Ru(2)
donors: {"N": 2, "O": 1}
C/C(=N/N=C(\[O-])c1ccccc1)c1ccco1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#3884
Ru(2)
donors: {"O": 1, "N": 2}
COc1ccc(/C([O-])=N/N=C(/C)c2ccco2)cc1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#3883
Ru(2)
donors: {"N": 2, "O": 1}
C/C(=N/N=C(\[O-])c1ccc(Cl)cc1)c1ccco1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#3882
Ru(2)
donors: {"N": 2, "O": 1}
C/C(=N/N=C(\[O-])c1ccccc1)c1ccco1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#3881
Ru(2)
donors: {"N": 7}
COc1ccc(/C=N\NC(=O)c2ccncc2)cc1OC.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3880
Ru(2)
donors: {"N": 7}
COc1ccc(/C=N\NC(=O)c2ccncc2)cc1OC.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#3879
Ru(2)
donors: {"N": 7}
COc1ccc(/C=N\NC(N)=S)cc1OC.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3878
Ru(2)
donors: {"N": 7}
COc1ccc(/C=N\NC(N)=S)cc1OC.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#3877
Ru(2)
donors: {"N": 7}
O=C(N/N=C\c1ccc(O)cc1)c1ccncc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3876
Ru(2)
donors: {"N": 7}
O=C(N/N=C\c1ccc(O)cc1)c1ccncc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#3875
Ru(2)
donors: {"N": 7}
NC(=S)N/N=C\c1ccc(O)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3874
Ru(2)
donors: {"N": 7}
NC(=S)N/N=C\c1ccc(O)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#3873
Ru(2)
donors: {"N": 6}
c1cc2c3c(cccc3c1)-c1nc3cc4nc5c6cccnc6c6ncccc6c5nc4cc3nc1-2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#3872
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
NC(CC(=O)O)C(=O)[O-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#3871
Ru(2)
donors: {"O": 1, "P": 4}
O=C([O-])c1cc(O)c(O)c(O)c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#3870
Ru(2)
donors: {"N": 6}
Oc1ccnc(-c2cc(O)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#3869
Ru(2)
donors: {"N": 2, "S": 2, "O": 2}
COc1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1.CS(C)=O.CS(C)=O.[Cl-].[Cl-]
6 meas.
MOL
3D
#3868
Ru(2)
donors: {"S": 2, "O": 2, "N": 2}
CS(C)=O.CS(C)=O.O=c1oc2cc(F)ccc2cc1-c1nc2ccccc2[nH]1.[Cl-].[Cl-]
6 meas.
MOL
3D
#3867
Ru(2)
donors: {"S": 2, "O": 2, "N": 2}
CS(C)=O.CS(C)=O.O=c1oc2ccccc2cc1-c1nc2ccccc2[nH]1.[Cl-].[Cl-]
6 meas.
MOL
3D
#3866
Ru(2)
donors: {"N": 6}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
3 meas.
MOL
3D
#3865
Ru(2)
donors: {"P": 2, "N": 4}
C=C(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3864
Ru(2)
donors: {"N": 4, "P": 1}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CC[As](c2ccccc2)c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#3863
Ru(2)
donors: {"N": 6, "P": 1}
CN(C)/N=C/c1ccccc1P(c1ccccc1)c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#3862
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nnc(-c3ccccn3)nn2)nc1
3 meas.
MOL
3D
#3861
Ru(2)
donors: {"N": 1}
COC(=O)c1cccnc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
4 meas.
MOL
3D
#3860
Ru(2)
donors: {"N": 6}
c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
6 meas.
MOL
3D
#3859
Ru(2)
donors: {"N": 2, "P": 1}
O=C(c1ccccn1)c1ccccn1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
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64/142 (7058 total)