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complexes
Ir C^N families
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D-MPNN
Coordination Complexes
9414 complexes in database
9414
Total
4834
Ru
2220
Au
1431
Ir
339
Rh
337
Os
253
Re
Metal
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#864
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
O=C([O-])/C=C/c1ccc(Cl)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
6 meas.
MOL
3D
#863
Ru(2)
donors: {"O": 1, "N": 2, "P": 2}
O=C([O-])/C=C/c1ccc(C(F)(F)F)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
7 meas.
MOL
3D
#862
Ru(2)
donors: {"N": 1, "P": 1}
CC#N.COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#861
Ru(2)
donors: {"P": 1, "N": 1}
COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Cc1ccc(C(C)C)cc1.Cc1ccncc1.[Cl-]
2 meas.
MOL
3D
#860
Ru(2)
donors: {"P": 1, "N": 1}
COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Cc1ccc(C(C)C)cc1.Cc1cccnc1.[Cl-]
2 meas.
MOL
3D
#859
Ru(2)
donors: {"P": 1, "N": 1}
COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C.Cc1ccc(C(C)C)cc1.Cc1cccnc1.[Cl-]
2 meas.
MOL
3D
#858
Ru(2)
donors: {"P": 1, "N": 1}
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.Cc1ccc(C(C)C)cc1.Cc1cccnc1.[Cl-]
2 meas.
MOL
3D
#857
Ru(2)
donors: {"P": 1, "N": 1}
CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cccnc1.[Cl-]
2 meas.
MOL
3D
#856
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(N(c2ccccc2)c2ccc(-c3c4nsnc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4nc5c6cccnc6c...
1 meas.
MOL
3D
#855
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
4 meas.
MOL
3D
#854
Ru(2)
donors: {"N": 6}
[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2[nH]ncc2c1
4 meas.
MOL
3D
#853
Ru(2)
donors: {"N": 6}
Oc1cccc2ccc(C3=NC4c5cccnc5-c5ncccc5C4N3)nc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
7 meas.
MOL
3D
#852
Ru(2)
donors: {"N": 6}
Oc1cccc2ccc(C3=NC4c5cccnc5-c5ncccc5C4N3)nc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
7 meas.
MOL
3D
#851
Ru(2)
donors: {"N": 8}
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc1)c1c(C)cc(C)n1[B-]2(F)F.CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4...
3 meas.
MOL
3D
#850
Ru(2)
donors: {"N": 8}
CC1=CC(C)=[N+]2C1=C(c1ccc(C#Cc3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc1)c1c(C)cc(C)n1[B-]2(F)F.CC1=CC(C)=[N+]2C1=C(c1...
3 meas.
MOL
3D
#849
Ru(2)
donors: {"N": 2, "P": 1}
NCc1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccccc1
3 meas.
MOL
3D
#848
Ru(2)
donors: {"N": 2, "P": 1}
Cc1ccc(C(C)C)cc1.NCc1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#847
Ru(2)
donors: {"N": 2}
NCc1ccccn1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#846
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.NCc1ccccn1.[Cl-]
3 meas.
MOL
3D
#845
Ru(2)
donors: {"N": 6}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)Nc1cc2cccnc2c2ncccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#844
Ru(2)
donors: {"N": 6}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(=O)Nc1cc2cccnc2c2ncccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#843
Ru(2)
donors: {"N": 6}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC(=O)CCC(=O)Nc1cc2cccnc2c2ncccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#842
Ru(2)
donors: {"N": 6}
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC(=O)CCC(=O)Nc1cc2cccnc2c2ncccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#841
Ru(2)
donors: {"O": 1, "N": 6}
O=[N+]([O-])c1ccc(Oc2ccc(N(Cc3ccccn3)Cc3ccccn3)cc2)cc1.[Cl-].c1ccc(Nc2ccccn2)nc1
1 meas.
MOL
3D
#840
Ru(2)
donors: {"O": 2, "N": 6}
O=[N+]([O-])c1ccc(Oc2ccc(N(Cc3ccccn3)Cc3ccccn3)cc2)cc1.O=[N+]([O-])c1ccc(Oc2ccc(N(Cc3ccccn3)Cc3ccccn3)cc2)cc1
1 meas.
MOL
3D
#839
Ru(3)
donors: {"O": 1, "N": 3}
O=[N+]([O-])c1ccc(Oc2ccc(N(Cc3ccccn3)Cc3ccccn3)cc2)cc1.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#838
Ru(2)
donors: {"O": 1, "N": 4}
Cc1ccc(C(C)C)cc1.O=S(=O)([O-])OCCc1cn(Cc2ccccn2)nn1.[Cl-]
6 meas.
MOL
3D
#837
Ru(3)
donors: {"O": 3, "N": 3}
O.O=C([O-])CN(CCN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O)CC(=O)[O-]
4 meas.
MOL
3D
#836
Ru(2)
donors: {"N": 5}
N=C1C=CC=CC1=N.[Cl-].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
3 meas.
MOL
3D
#835
Ru(2)
donors: {"N": 5}
[Cl-].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1cnc2c(c1)ccc1cccnc12
9 meas.
MOL
3D
#834
Ru(2)
donors: {"N": 3, "S": 2, "O": 2}
CCNC(=S)N/N=C/C1=C(Cl)c2ccccc2OC1.CS(C)=O.CS(C)=O.[Cl-].[Cl-]
5 meas.
MOL
3D
#833
Ru(2)
donors: {"N": 3, "S": 3, "O": 2}
CCN/C([S-])=N/N=C/c1cc(=O)c2ccccc2o1.CS(C)=O.CS(C)=O.[Cl-]
5 meas.
MOL
3D
#832
Ru(2)
donors: {"O": 1, "N": 4}
COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#831
Ru(2)
donors: {"O": 1, "N": 4}
COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
3 meas.
MOL
3D
#830
Ru(2)
donors: {"O": 1, "N": 4}
O=C(/C=C([O-])/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#829
Ru(2)
donors: {"N": 4, "O": 1}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C(/C=C([O-])/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1
3 meas.
MOL
3D
#828
Ru(2)
donors: {"P": 2, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(c2ccccc2)N(C2CCCCC2)P(c2ccccc2)c2ccccc2)cc1
9 meas.
MOL
3D
#827
Ru(2)
donors: {"N": 1, "P": 2}
CCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#826
Ru(2)
donors: {"N": 1, "P": 2}
CC(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
8 meas.
MOL
3D
#825
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)oc1cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)ccc12
6 meas.
MOL
3D
#824
Ru(2)
donors: {"N": 8}
ClCCN(CCCl)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.ClCCN(CCCl)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
4 meas.
MOL
3D
#823
Ru(2)
donors: {"P": 2}
Cc1ccccc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
21 meas.
MOL
3D
#822
Ru(2)
donors: {"N": 3, "P": 2}
C1N2CN3CN1CP(C2)C3.Cc1ccccc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#821
Ru(2)
donors: {"P": 1}
Cc1ccccc1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#820
Ru(2)
donors: {"N": 3, "P": 1, "O": 4}
C1N2CN3CN1CP(C2)C3.Cc1ccc(CCC(=O)O)cc1.O=C([O-])C(=O)[O-]
3 meas.
MOL
3D
#819
Ru(2)
donors: {"N": 3, "P": 1, "O": 2}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C([O-])C(=O)[O-]
7 meas.
MOL
3D
#818
Ru(2)
donors: {"N": 3, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.[Br-].[Br-]
3 meas.
MOL
3D
#817
Ru(2)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.C[NH+](C)Cc1ccccc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#816
Ru(2)
donors: {"N": 6, "P": 2}
C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
3 meas.
MOL
3D
#815
Ru(2)
donors: {"N": 6, "P": 2}
C1N2CN3CN1CP(C2)C3.C1N2CN3CN1CP(C2)C3.[Cl-].c1cc[cH-]c1
3 meas.
MOL
3D
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172/189 (9414 total)