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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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#614
Ru(2)
donors: {"N": 5}
Cc1cc(C)n(C(C(O)c2ccc3ccccc3n2)n2nc(C)cc2C)n1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#613
Ru(2)
donors: {"N": 5}
Cc1cc(C)n(C(C(O)c2ccccn2)n2nc(C)cc2C)n1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#612
Ru(2)
donors: {"N": 4}
Cc1cc(C)n(C(C(O)c2c3ccccc3cc3ccccc23)n2nc(C)cc2C)n1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#611
Ru(2)
donors: {"N": 4}
Cc1cc(C)n(C(C(O)C2=CC=C[CH]2[Fe][CH]2C=CC=C2)n2nc(C)cc2C)n1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#610
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.Cc1ccc(C(O)C(n2nc(C)cc2C)n2nc(C)cc2C)cc1.[Cl-]
4 meas.
MOL
3D
#609
Ru(2)
donors: {"N": 2}
COc1ccc(/C=N/CCN(C)C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#608
Ru(2)
donors: {"N": 8}
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1cc2cccnc2c2ncccc12.Cc1cc2cccnc2c2ncccc12
6 meas.
MOL
3D
#607
Ru(2)
donors: {"N": 8}
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Clc1cc2cccnc2c2ncccc12.Clc1cc2cccnc2c2ncccc12
6 meas.
MOL
3D
#606
Ru(2)
donors: {"N": 8}
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#605
Ru(2)
donors: {"N": 8}
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1
6 meas.
MOL
3D
#604
Ru(2)
donors: {"N": 8}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)...
6 meas.
MOL
3D
#603
Ru(2)
donors: {"N": 8}
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1
6 meas.
MOL
3D
#602
Ru(2)
donors: {"N": 8}
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
6 meas.
MOL
3D
#601
Ru(2)
donors: {"N": 8}
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#600
Ru(2)
donors: {"N": 3}
Cc1cc(O)n(C(N)=S)n1.Cc1ccc(C(C)C)cc1.[Cl-]
33 meas.
MOL
3D
#599
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.NC(=S)n1nc(-c2ccccc2)cc1O.[Cl-]
33 meas.
MOL
3D
#598
Ru(2)
donors: {"N": 3}
Cc1cc(C)n(C(N)=S)n1.Cc1ccc(C(C)C)cc1.[Cl-]
33 meas.
MOL
3D
#597
Ru(2)
donors: {"N": 3}
CCc1cc(CC)n(C(N)=S)n1.Cc1ccc(C(C)C)cc1.[Cl-]
33 meas.
MOL
3D
#596
Ru(2)
donors: {"N": 5, "O": 2}
COC(=O)c1cccnc1.COC(=O)c1cccnc1.N#[O+].O=N[O-].O=N[O-].[OH-]
1 meas.
MOL
3D
#595
Ru(2)
donors: {"N": 5, "O": 2}
CCOC(=O)c1cccnc1.CCOC(=O)c1cccnc1.N#[O+].O=N[O-].O=N[O-].[OH-]
1 meas.
MOL
3D
#594
Ru(2)
donors: {"N": 1, "O": 2}
O=C1[N-]C(=O)c2ccccc21.[C-]#[O+].[C-]#[O+].c1cc[cH-]c1
2 meas.
MOL
3D
#593
Ru(2)
donors: {"N": 1, "O": 2}
CCOC1CC(=O)[N-]C1=O.[C-]#[O+].[C-]#[O+].c1cc[cH-]c1
2 meas.
MOL
3D
#592
Ru(2)
donors: {"N": 1, "O": 2}
COC1CC(=O)[N-]C1=O.[C-]#[O+].[C-]#[O+].c1cc[cH-]c1
2 meas.
MOL
3D
#591
Ru(2)
donors: {"N": 1, "O": 2}
O=C1C=CC(=O)[N-]1.[C-]#[O+].[C-]#[O+].c1cc[cH-]c1
5 meas.
MOL
3D
#590
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(-c3nc4cc5ccccc5cc4[nH]3)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#589
Ru(2)
donors: {"N": 8}
Cc1ccnc(-c2cc(-c3nc4cc5ccccc5cc4[nH]3)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#588
Ru(3)
donors: {"N": 8}
Cn1c(N)c(N)c(=O)n(C)c1=O.Cn1c(N)c(N)c(=O)n(C)c1=O.O
4 meas.
MOL
3D
#587
Ru(2)
donors: {"O": 1, "N": 5}
[O-]c1cccc2cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12
6 meas.
MOL
3D
#586
Ru(2)
donors: {"O": 1, "N": 5}
[O-]c1cccc2cccnc12.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
6 meas.
MOL
3D
#585
Ru(2)
donors: {"N": 6}
Cc1ccc(C(C)C)cc1.Cc1ccnc(-c2cc(Cn3cc(CNC(=O)CCCCC(CCSCc4ccccc4)SCc4ccccc4)nn3)ccn2)c1.[Cl-]
4 meas.
MOL
3D
#584
Ru(2)
donors: {"N": 7, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.NCCNc1ccc2c3c(cccc13)C(=O)N(CCN1CCOCC1)C2=O.[Cl-]
4 meas.
MOL
3D
#583
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.NCCNc1ccc2c3c(cccc13)C(=O)N(CCN1CCOCC1)C2=O.[Cl-].[Cl-]
4 meas.
MOL
3D
#582
Ru(2)
donors: {"N": 6}
NCc1ccncc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnn(C(n2cccn2)n2cccn2)c1
4 meas.
MOL
3D
#581
Ru(2)
donors: {"N": 2}
CC(C)(C)c1ccc(/N=C/c2ccccc2[NH-])cc1.Cc1ccc(C(C)C)cc1
5 meas.
MOL
3D
#580
Ru(2)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1N.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#579
Ru(2)
donors: {"N": 2}
Cc1cc(C)c(/N=C/c2ccccc2N)c(C)c1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#578
Ru(2)
donors: {"N": 2}
COc1ccc(/N=C/c2ccccc2N)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#577
Ru(2)
donors: {"N": 2}
Cc1ccc(/N=C/c2ccccc2N)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
10 meas.
MOL
3D
#576
Ru(2)
donors: {"N": 2}
CC(C)(C)c1ccc(/N=C/c2ccccc2N)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
10 meas.
MOL
3D
#575
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C\c1ccc2c(c1)Cc1ccccc1-2)c1ccc(O)cc1
1 meas.
MOL
3D
#574
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]/C(=N\N=C\c1ccc2c(c1)Cc1ccccc1-2)c1ccc(O)cc1.c1ccccc1
1 meas.
MOL
3D
#573
Ru(2)
donors: {"O": 1, "N": 2}
COc1cccc(/C([O-])=N/N=C/c2ccc3c(c2)Cc2ccccc2-3)c1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#572
Ru(2)
donors: {"O": 1, "N": 2}
COc1cccc(/C([O-])=N/N=C/c2ccc3c(c2)Cc2ccccc2-3)c1.[Cl-].c1ccccc1
1 meas.
MOL
3D
#571
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C\c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1
1 meas.
MOL
3D
#570
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]/C(=N\N=C\c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1.c1ccccc1
1 meas.
MOL
3D
#569
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1c([O-])c(=S)ccn1Cc1ccccc1.Cc1ccc(C(C)C)cc1
2 meas.
MOL
3D
#568
Ru(2)
donors: {"O": 1, "N": 3}
Cc1c([O-])c(=S)ccn1Cc1ccccc1.Cc1ccc(C(C)C)cc1.NC(N)=S
3 meas.
MOL
3D
#567
Ru(2)
donors: {"O": 1, "N": 3}
Cc1c([O-])c(=S)ccn1C.Cc1ccc(C(C)C)cc1.NC(N)=S
3 meas.
MOL
3D
#566
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1c([O-])c(=S)ccn1C.Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#565
Ru(2)
donors: {"O": 1, "N": 3}
Cc1c([O-])c(=S)ccn1Cc1ccccc1.Cc1ccc(C(C)C)cc1.Cn1ccnc1
3 meas.
MOL
3D
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177/189 (9414 total)