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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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Ru
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#7664
Au(3)
donors: {"Cl": 3, "N": 2}
[Cl-].[Cl-].[Cl-].c1cnc2ccc3ncccc3c2c1
4 meas.
3D
#7663
Au(1)
donors: {"F": 2, "N": 2, "Cl": 1}
Fc1cccc(-n2[c-][n+](-c3cccc(F)c3)c3c2-c2cccc4cccc-3c24)c1.[Cl-]
1 meas.
3D
#7662
Au(1)
donors: {"N": 2, "O": 2}
CN1[C]N(C)C=C1.[C-]#CCCOC(=O)C(C)c1ccc(CC(C)C)cc1
4 meas.
3D
#7661
Au(1)
donors: {"O": 3, "S": 1, "N": 2, "P": 1}
COC(=O)C(CCSC)NC(=O)c1ccccc1Nc1cccc(C)c1C.c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1
1 meas.
3D
#7660
Au(3)
donors: {"N": 6, "O": 4}
CC(C)(C)c1c[c-]c(-c2cncc(-c3[c-]cc(C(C)(C)C)cc3)n2)cc1.C[n+]1[c-]n(Cc2ccc(C(=O)NCCCCCCNC(=O)c3ccc(C#C[C@]4(O)CC5C6CCc7cc...
3 meas.
3D
#7659
Au(1)
donors: {"N": 3, "F": 1, "O": 1, "Br": 1}
CCCn1[c-][n+](CC)c(-c2ccccc2F)c1-c1ccc(OC)cn1.[Br-]
1 meas.
3D
#7658
Au(1)
donors: {"F": 5, "S": 1, "P": 1, "N": 1}
Fc1[c-]c(F)c(F)c(F)c1F.S=P(c1ccccc1)(c1ccccc1)c1cccc2ccc(-c3ccc4ccccc4c3)nc12
3 meas.
3D
#7657
Au(1)
donors: {"O": 2, "N": 6}
CC(=O)NCCn1[c-][n+]2ccccc2c1.CC(=O)NCCn1[c-][n+]2ccccc2c1
4 meas.
3D
#7656
Au(3)
donors: {"F": 3, "N": 3, "Cl": 2}
FC(F)(F)c1ccc(Cn2c(-c3ccccn3)nc3ccccc32)cc1.[Cl-].[Cl-]
4 meas.
3D
#7655
Au(1)
donors: {"N": 1, "P": 1}
[C-]#Cc1ccc(N)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7654
Au(1)
donors: {"P": 1, "N": 1, "S": 2}
CC(C)(C)P(C(C)(C)C)C(C)(C)C.CCN(CC)C(=S)[S-]
3 meas.
3D
#7653
Au(3)
donors: {"O": 4, "N": 2, "Cl": 2}
CCCCOC(=O)[C@H](C)NCCN[C@H](C)C(=O)OCCCC.[Cl-].[Cl-]
4 meas.
3D
#7652
Au(1)
donors: {"N": 3, "F": 2, "O": 2}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#Cc1ccc([N+](=O)[O-])cc1
1 meas.
3D
#7651
Au(3)
donors: {"N": 10, "O": 2}
Cc1c(/N=N/c2ccc(O)c3ccccc23)/c(=N/c2ccccc2/N=c2/c(/N=N/c3ccc(O)c4ccccc34)c(C)n(C)n2-c2ccccc2)n(-c2ccccc2)n1C
1 meas.
3D
#7650
Au(1)
donors: {"Cl": 1, "N": 2}
[Cl-].[c-]1n(-c2c(C(c3ccccc3)c3ccccc3)cc(C(c3ccccc3)c3ccccc3)cc2C(c2ccccc2)c2ccccc2)cc2ccc3ccccc3[n+]12
2 meas.
3D
#7649
Au(3)
donors: {"O": 1, "N": 2, "Cl": 2}
O=C([N-]c1ccccc1)c1ccccn1.[Cl-].[Cl-]
5 meas.
3D
#7648
Au(3)
donors: {"O": 1, "N": 3}
[OH-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
5 meas.
3D
#7647
Au(1)
donors: {"N": 3, "F": 1, "O": 1, "Br": 1}
CCCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(OC)cn1.[Br-]
3 meas.
3D
#7646
Au(1)
donors: {"N": 2, "I": 1}
CCn1[c-][n+](CC)c2ccccc21.[I-]
2 meas.
3D
#7645
Au(3)
donors: {"O": 4, "N": 2, "Cl": 2}
CCCOC(=O)[C@H](CC(C)C)NCCN[C@@H](CC(C)C)C(=O)OCCC.[Cl-].[Cl-]
4 meas.
3D
#7644
Au(1)
donors: {"N": 4, "P": 1, "S": 2}
CN(C)P(N(C)C)N(C)C.[S-]c1nc2ccccc2s1
4 meas.
3D
#7643
Au(3)
donors: {"N": 4}
NCCCN.N[C@H]1CCCC[C@@H]1N
2 meas.
3D
#7642
Au(1)
donors: {"N": 4, "S": 1}
[C-](\NCc1ccccn1)=[NH+]\c1ccc2ccccc2c1.[S-]c1ccccn1
3 meas.
3D
#7641
Ir(3)
donors: {"Br": 1, "N": 6, "O": 2}
Brc1cc2c(cc1-c1nc3c4cccnc4c4ncccc4c3[nH]1)OCO2.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
3 meas.
3D
#7640
Au(1)
donors: {"N": 6, "P": 1, "O": 2, "F": 3, "S": 1}
C1[N@]2C[N@@]3CP1C[N@](C2)C3.Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
2 meas.
3D
#7639
Au(3)
donors: {"N": 3, "S": 1, "O": 1, "Cl": 2}
CN(C)/C([S-])=N/N=C/c1ccccc1O.[Cl-].[Cl-]
1 meas.
3D
#7638
Au(1)
donors: {"O": 3, "N": 2, "Cl": 1}
COc1ccc2c(Cn3[c-][n+](C)cc3)cc(=O)oc2c1.[Cl-]
4 meas.
3D
#7637
Au(1)
donors: {"O": 2, "N": 6, "S": 2}
COc1ccc(/C=N/NC(N)=S)cc1.COc1ccc(/C=N/NC(N)=S)cc1
3 meas.
3D
#7636
Au(3)
donors: {"N": 2, "O": 2, "Cl": 3}
CCn1[c-][n+](CC)c2cc(C(=O)OC)ccc21.[Cl-].[Cl-].[Cl-]
3 meas.
3D
#7635
Au(1)
donors: {"N": 1, "S": 1, "O": 2, "P": 1}
CC(C)(C)c1cc(C(C)(C)C)c(/C=[NH+]/c2ccccc2[S-])c([O-])c1O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7634
Au(1)
donors: {"N": 2, "S": 2, "O": 3, "P": 1}
Cc1cc(C)nc([S-])n1.O=S(=O)([O-])c1cccc(P(c2ccccc2)c2ccccc2)c1
2 meas.
3D
#7633
Au(3)
donors: {"O": 2, "N": 2, "Cl": 1}
O=[N+]([O-])c1ccc(-c2cc(-c3[c-]cccc3)nc(-c3[c-]cccc3)c2)cc1.[Cl-]
2 meas.
3D
#7632
Au(1)
donors: {"N": 4, "S": 1, "Cl": 1}
CNC(=S)NN=C(C)c1cccc[nH+]1.[Cl-]
5 meas.
3D
#7631
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.c1cn[n-]c1
4 meas.
3D
#7630
Au(1)
donors: {"O": 4, "N": 4, "Cl": 3}
CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1.[Cl-]
3 meas.
3D
#7629
Au(3)
donors: {"S": 4}
[S-]c1ccccc1[S-].[S-]c1ccccc1[S-]
5 meas.
3D
#7628
Au(3)
donors: {"O": 9, "N": 3, "S": 3, "Cl": 1}
O=C1[N-]S(=O)(=O)c2ccccc21.O=C1[N-]S(=O)(=O)c2ccccc21.O=C1[N-]S(=O)(=O)c2ccccc21.[Cl-]
2 meas.
3D
#7627
Au(1)
donors: {"N": 3, "Cl": 1}
Cc1cccc(C)c1/[NH+]=[C-]\NCc1ccccn1.[Cl-]
3 meas.
3D
#7626
Au(3)
donors: {"O": 1, "N": 3, "Cl": 1}
CC(C)(C)c1c[c-]c(-c2[c-]cc(C(C)(C)C)cc2)cc1.COc1ccnc(-n2[c-][n+](C)cc2)c1.[Cl-]
2 meas.
3D
#7625
Au(1)
donors: {"N": 4, "O": 6, "S": 1, "F": 1}
CCn1[c-][n+](CC)cc1.CCn1[c-][n+](CCCCOC(=O)/C=C/c2ccc(Oc3c(C(=O)c4ccccc4)sc4cc(F)ccc34)cc2)c(-c2ccc(OC)cc2)c1-c1ccc(OC)c...
2 meas.
3D
#7624
Au(3)
donors: {"N": 4}
CCC1=C(CC)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)C(CC)=C5CC)c(CC)c4CC)c(CC)c3CC
8 meas.
3D
#7623
Au(1)
donors: {"F": 6, "N": 4, "Cl": 3}
FC(F)(F)c1cnc(CCn2[c-][n+](CCc3ncc(C(F)(F)F)cc3Cl)cc2)c(Cl)c1.[Cl-]
13 meas.
3D
#7622
Au(1)
donors: {"N": 2}
CC(C)n1[c-][n+](C(C)C)c2ccccc21.[Se-]c1ccccc1
4 meas.
3D
#7621
Au(1)
donors: {"N": 2, "Br": 1, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccc(Br)cc2)c1.[Cl-]
4 meas.
3D
#7620
Au(1)
donors: {"O": 1, "S": 1, "N": 2, "P": 1}
O=C(c1cccs1)N(c1ccccc1)c1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7619
Au(1)
donors: {"P": 1, "N": 5, "S": 1, "O": 4}
CCP(CC)CC.Nc1nc([S-])c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
12 meas.
3D
#7618
Au(3)
donors: {"N": 3, "S": 1, "O": 3, "Cl": 2}
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1.[Cl-].[Cl-]
2 meas.
3D
#7617
Au(3)
donors: {"N": 3, "S": 2, "O": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1
1 meas.
3D
#7616
Au(1)
donors: {"O": 1, "N": 3, "S": 1}
OC1CCCCC1[n+]1[c-]n(Cc2ccccc2)cc1.[S-]c1ccccn1
1 meas.
3D
#7615
Au(1)
donors: {"N": 2, "Cl": 2, "O": 1}
CCn1[c-][n+](CC)c(-c2ccc(Cl)cc2)c1-c1ccc(OC)cc1.[Cl-]
2 meas.
3D
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36/189 (9414 total)