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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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Donor atoms
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#3858
Ru(2)
donors: {"N": 1, "P": 1}
O=C(c1ccccc1)c1nccc2ccccc12.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#3857
Ru(2)
donors: {"N": 1, "P": 1}
CC(=O)c1ccccn1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#3856
Ru(2)
donors: {"N": 1, "P": 1}
O=C(c1ccccc1)c1ccccn1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#3855
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.c1ccc2c(c1)c1ccccc1c1nc3cc4nc5c6cccnc6c6ncccc6c5nc4cc3nc21
4 meas.
MOL
3D
#3854
Ru(2)
donors: {"N": 3, "P": 2}
COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
10 meas.
MOL
3D
#3853
Ru(2)
donors: {"N": 6}
O=C(CCCCC1SCC2NC(=O)NC21)NCCCCCCNC(=O)c1ccc2[nH]c(-c3ccccn3)nc2c1.c1cnc2c(c1)c1c[se]cc1c1cccnc12.c1cnc2c(c1)c1c[se]cc1c1...
7 meas.
MOL
3D
#3852
Ru(2)
donors: {"N": 6}
O=C(CCCCC1SCC2NC(=O)NC21)NCCCCCCNC(=O)c1ccc2[nH]c(-c3ccccn3)nc2c1.c1cnc2c(c1)c1nc[nH]c1c1cccnc12.c1cnc2c(c1)c1nc[nH]c1c1...
7 meas.
MOL
3D
#3851
Ru(2)
donors: {"N": 7}
c1ccc(-c2nc3ccccc3[nH]2)nc1.c1cnc2c(c1)c1c[se]cc1c1cccnc12.c1cnc2c(c1)c1c[se]cc1c1cccnc12
7 meas.
MOL
3D
#3850
Ru(2)
donors: {"N": 6}
c1ccc(-c2nc3ccccc3[nH]2)nc1.c1cnc2c(c1)c1nc[nH]c1c1cccnc12.c1cnc2c(c1)c1nc[nH]c1c1cccnc12
7 meas.
MOL
3D
#3849
Ru(2)
donors: {"N": 7}
CN(C)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
2 meas.
MOL
3D
#3848
Ru(2)
donors: {"N": 6}
COC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
2 meas.
MOL
3D
#3847
Ru(2)
donors: {"N": 6}
O=C(O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
4 meas.
MOL
3D
#3846
Ru(2)
donors: {"N": 6}
COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
2 meas.
MOL
3D
#3845
Ru(2)
donors: {"N": 6}
Brc1cc(-c2ccccn2)nc(-c2ccccn2)c1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
2 meas.
MOL
3D
#3844
Ru(2)
donors: {"N": 6}
Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
2 meas.
MOL
3D
#3843
Ru(2)
donors: {"N": 5, "O": 1}
Cc1ccnc(-c2cc(CCCn3ccnc3[N+](=O)[O-])ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)...
4 meas.
MOL
3D
#3842
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(C(=O)C(C(=O)NC3CCCCC3)N3CCCCC3)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c...
4 meas.
MOL
3D
#3841
Ru(2)
donors: {"N": 6, "O": 1}
Cc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
MOL
3D
#3840
Ru(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccc(C)cc2c2[nH]c3ccccc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#3839
Ru(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccc(Br)cc2c2[nH]c3ccccc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#3838
Ru(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccc(Cl)cc2c2[nH]c3ccccc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#3837
Ru(2)
donors: {"N": 5}
Cc1ccc(C(C)C)cc1.Clc1ccc2[nH]/c(=N/N=C\c3ccccn3)c3c4ccccc4[nH]c3c2c1.[Cl-]
3 meas.
MOL
3D
#3836
Ru(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccc(F)cc2c2[nH]c3ccccc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3835
Ru(2)
donors: {"N": 5}
C/C(=N/N=c1/[nH]c2ccccc2c2[nH]c3ccccc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3834
Ru(2)
donors: {"N": 5}
C(=N\N=c1\[nH]c2ccccc2c2[nH]c3ccccc3c12)\c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3833
Ru(2)
donors: {"N": 6}
Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
11 meas.
MOL
3D
#3832
Ru(2)
donors: {"N": 6}
Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.c1cnc2c(c1)c1nccnc1c1cccnc12
5 meas.
MOL
3D
#3831
Ru(2)
donors: {"N": 6}
Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.c1cnc2c(c1)c1nc(-c3c[nH]cn3)[nH]c1c1cccnc12
5 meas.
MOL
3D
#3830
Ru(2)
donors: {"N": 6}
Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
6 meas.
MOL
3D
#3829
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
8 meas.
MOL
3D
#3828
Ru(2)
donors: {"N": 6}
COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1
2 meas.
MOL
3D
#3827
Ru(2)
donors: {"N": 6}
CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1
2 meas.
MOL
3D
#3826
Ru(2)
donors: {"N": 6}
c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
16 meas.
MOL
3D
#3825
Ru(2)
donors: {"N": 6}
c1cnc2c(c1)c1nc[nH]c1c1cccnc12.c1cnc2c(c1)c1nc[nH]c1c1cccnc12.c1cnc2c(c1)c1nc[nH]c1c1cccnc12
16 meas.
MOL
3D
#3824
Ru(2)
donors: {"N": 2, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1ccc(-c2ccccc2)cc1.[Cl-]
2 meas.
MOL
3D
#3823
Ru(2)
donors: {"N": 5, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)c(C)c(C)c1C.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1ccc(-c2ccccc2)cc1
4 meas.
MOL
3D
#3822
Ru(2)
donors: {"N": 5, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1ccc(-c2ccccc2)cc1.c1ccccc1
3 meas.
MOL
3D
#3821
Ru(2)
donors: {"N": 5, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1ccc(-c2ccccc2)cc1
4 meas.
MOL
3D
#3820
Ru(2)
donors: {"O": 2, "N": 2}
CO.Cc1c(C)c(C)c(C)c(C)c1C.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1ccc(-c2ccccc2)cc1
4 meas.
MOL
3D
#3819
Ru(2)
donors: {"O": 2, "N": 2}
CO.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1ccc(-c2ccccc2)cc1.c1ccccc1
4 meas.
MOL
3D
#3818
Ru(2)
donors: {"O": 2, "N": 2}
CO.Cc1ccc(C(C)C)cc1.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1ccc(-c2ccccc2)cc1
3 meas.
MOL
3D
#3817
Ru(2)
donors: {"N": 2, "O": 1}
Cc1c(C)c(C)c(C)c(C)c1C.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1ccc(-c2ccccc2)cc1.[Cl-]
4 meas.
MOL
3D
#3816
Ru(2)
donors: {"N": 2, "O": 1}
Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1ccc(-c2ccccc2)cc1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#3815
Ru(2)
donors: {"N": 6}
Oc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[Cl-].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
6 meas.
MOL
3D
#3814
Ru(2)
donors: {"N": 6}
Oc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.[Cl-].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
6 meas.
MOL
3D
#3813
Ru(2)
donors: {"N": 6}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[Cl-].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
6 meas.
MOL
3D
#3812
Ru(2)
donors: {"N": 6}
[Cl-].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
6 meas.
MOL
3D
#3811
Ru(2)
donors: {"N": 4}
O=c1[nH]c2ccccc2nc1-c1nc2ccccc2[nH]1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#3810
Ru(2)
donors: {"N": 3}
Cc1cc2nc(-c3nc4cc(Cl)ccc4s3)c(=O)[nH]c2cc1C.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#3809
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=c1[nH]c2ccccc2nc1-c1nc2cc(Cl)ccc2s1.[Cl-]
3 meas.
MOL
3D
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65/142 (7058 total)