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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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Au
Ir
Os
Re
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Ru
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#7914
Au(1)
donors: {"S": 2, "N": 3, "O": 2, "P": 1}
CSCC[C@H](NC(=O)c1cccnc1[S-])C(=O)NC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#7913
Au(1)
donors: {"P": 1, "N": 2}
CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1
2 meas.
3D
#7912
Au(3)
donors: {"N": 6}
CN(C)C([NH-])=NC(=N)N.Cc1[c-]c(-c2ccccn2)ccc1
3 meas.
3D
#7911
Au(3)
donors: {"N": 4, "S": 5}
CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].Cc1cc(C)nc([S-])n1
5 meas.
3D
#7910
Au(1)
donors: {"O": 2, "N": 2, "S": 1, "Cl": 1}
CCO[C@H]1[C@H](OCC)[N+](c2c(C(C)C)cccc2C(C)C)=[C-]N1c1c(C(C)C)cccc1C(C)C.[S-]c1ccc(Cl)cc1
4 meas.
3D
#7909
Au(1)
donors: {"Cl": 1}
[Cl-]
4 meas.
3D
#7908
Au(1)
donors: {"F": 26, "N": 6, "P": 2, "Cl": 1}
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[N@+]12C[N@@]3C[N@@](C[P@@](C3)C1)C2.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(...
1 meas.
3D
#7907
Ir(3)
donors: {"N": 4, "S": 1}
[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2ccccn2)nc1
5 meas.
3D
#7906
Au(3)
donors: {"N": 4, "O": 5, "S": 2, "Br": 2}
CN(CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OC(C)(C)C)C(=S)[S-].[Br-].[Br-]
4 meas.
3D
#7905
Au(1)
donors: {"N": 2, "S": 1, "Cl": 2}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1Sc1ccc(Cl)cc1.[Cl-]
4 meas.
3D
#7904
Au(1)
donors: {"N": 3, "O": 2, "S": 3}
C#CCn1[c-][n+](Cc2ccccc2)cc1.O=S(=O)(NC(=S)[S-])c1ccccc1
2 meas.
3D
#7903
Au(3)
donors: {"N": 4, "S": 4}
N#CN=C([S-])[S-].N#CN=C([S-])[S-]
6 meas.
3D
#7902
Au(1)
donors: {"O": 5, "N": 2, "S": 1, "P": 1}
COC(=O)CNC(=O)[C@H](C[S-])NC(=O)OCc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7901
Au(3)
donors: {"N": 4, "F": 10}
Cc1cccc(C)c1N[C-]=[N+](Cc1ccccn1)Cc1ccccn1.Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F
3 meas.
3D
#7900
Au(1)
donors: {"O": 9, "N": 5, "I": 1}
C=C(OC)OCC1OC(n2cc(-c3cn(C)[c-][n+]3C)nn2)C(OC(=C)OC)C(OC(=C)OC)C1OC(=C)OC.[I-]
4 meas.
3D
#7899
Au(1)
donors: {"O": 5, "N": 1, "S": 2, "P": 1}
CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)OC1O[C@@H]2CN1CCSC1=S.CCP(CC)CC
4 meas.
3D
#7898
Au(1)
donors: {"Cl": 1, "N": 4}
Clc1nc2ccccc2[n-]1.[c-]1n(C23CC4CC(CC(C4)C2)C3)cc[n+]1C12CC3CC(CC(C3)C1)C2
4 meas.
3D
#7897
Au(1)
donors: {"O": 2, "N": 3, "Cl": 1}
O=C1c2cccc3cccc(c23)C(=O)N1CCCn1[c-][n+](Cc2ccccc2)cc1.[Cl-]
2 meas.
3D
#7896
Ir(3)
donors: {"N": 7, "O": 1}
Cc1ccnc(-c2cc(/C=[N+](/C)[O-])ccn2)c1.[c-]1cccc2ccc3nc4ccccc4nc3c12.[c-]1cccc2ccc3nc4ccccc4nc3c12
1 meas.
3D
#7895
Au(1)
donors: {"N": 3, "O": 2, "Br": 1}
CCCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cn1.[Br-]
3 meas.
3D
#7894
Au(1)
donors: {"O": 9, "S": 4, "P": 1, "N": 2}
O=S(=O)([O-])c1cccc(P(c2cccc(S(=O)(=O)[O-])c2)c2cccc(S(=O)(=O)[O-])c2)c1.[S-]c1nc2ccccc2[nH]1
2 meas.
3D
#7893
Au(1)
donors: {"N": 4}
CCn1[c-][n+](CC)c(-[c]23->[Fe+2]456789%10(<-[CH-]%11[C]4=[C]5[C]6=[C]%117)<-[cH-]2[c]8[c]9[c]3%10)c1-c1ccccc1.CCn1[c-][n...
10 meas.
3D
#7892
Au(1)
donors: {"S": 1, "N": 2, "O": 1, "P": 1}
[S-]c1nnc(-c2ccccc2)o1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
3D
#7891
Au(3)
donors: {"Cl": 2, "N": 3}
[Cl-].[Cl-].c1ccc(-c2nc3ccccc3[n-]2)nc1
6 meas.
3D
#7890
Au(1)
donors: {"O": 4, "P": 1}
[C-]#Cc1ccc(OC)cc1.c1coc(P(c2ccco2)c2ccco2)c1
2 meas.
3D
#7889
Ir(3)
donors: {"O": 2, "N": 5, "S": 1, "F": 3}
COC(=O)c1ccc2c(c1)nc(-c1nc3ccccc3s1)n2Cc1ccc(C(F)(F)F)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
3D
#7888
Au(3)
donors: {"O": 6, "S": 2, "N": 4, "F": 15}
O=S(=O)(O)c1cc2[n-]c1c(-c1c(F)c(F)c(F)c(F)c1F)c1nc(c(-c3c(F)c(F)c(F)c(F)c3F)c3ccc([n-]3)c(-c3c(F)c(F)c(F)c(F)c3F)c3cc(S(...
4 meas.
3D
#7887
Au(1)
donors: {"O": 2, "N": 2}
CC(=O)[O-].Cc1ccc(Cn2[c-][n+](Cc3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1
2 meas.
3D
#7886
Au(1)
donors: {"O": 5, "S": 1, "P": 1}
CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)OC1O[C@@H]2C[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7885
Au(3)
donors: {"N": 2, "F": 2, "Br": 3}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[Br-].[Br-].[Br-]
3 meas.
3D
#7884
Au(1)
donors: {"S": 2, "N": 4}
S=C1N(c2ccccc2)CCN1c1ccccc1.S=C1N(c2ccccc2)CCN1c1ccccc1
4 meas.
3D
#7883
Au(1)
donors: {"N": 3, "O": 2}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[C-]#Cc1ccc(N)cc1
2 meas.
3D
#7882
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.NC(N)=[Se]
3 meas.
3D
#7881
Au(1)
donors: {"O": 5, "N": 3, "S": 1, "P": 1}
COC(=O)CNC(=O)[C@H](C[S-])NC(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccn2)cc1
3 meas.
3D
#7880
Au(1)
donors: {"S": 2, "N": 1, "P": 1}
S=C([S-])N1CCCCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7879
Au(1)
donors: {"S": 1, "N": 3, "P": 1}
[S-]c1ncccn1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
6 meas.
3D
#7878
Au(1)
donors: {"O": 2, "N": 2, "Cl": 1}
COC(C/[N+](=[C-]\Nc1c(C(C)C)cccc1C(C)C)C1CCCCCCCCCCC1)OC.[Cl-]
3 meas.
3D
#7877
Au(1)
donors: {"Cl": 1, "N": 2}
[Cl-].[Se]=c1n(C2C3CC4CC(C3)CC2C4)ccn1C1C2CC3CC(C2)CC1C3
7 meas.
3D
#7876
Au(1)
donors: {"O": 2, "N": 3, "P": 1, "S": 1}
CC(=O)N1CN2CN(C(C)=O)CP(C2)C1.[C-]#Cc1ccsc1
2 meas.
3D
#7875
Au(1)
donors: {"Cl": 1, "N": 2, "Br": 1, "P": 1}
Clc1c[n-]c2ncc(Br)cc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7874
Au(1)
donors: {"P": 1, "O": 2, "S": 1}
CCP(CC)CC.[CH3-]->[Ti+4]12345678(<-[O-]C(=O)c9ccc([S-])cc9)(<-[CH-]9[C]1=[C]2[C]3=[C]94)<-[CH-]1[C]5=[C]6[C]7=[C]18
2 meas.
3D
#7873
Au(1)
donors: {"O": 9, "S": 1, "N": 2}
C=C(OC)OC[C@H]1O[C@H]([S-])[C@@H](OC(=C)OC)[C@@H](OC(=C)OC)[C@@H]1OC(=C)OC.Cc1cc(C)c(N2[C-]=[N+](c3c(C)cc(C)cc3C)CC2)c(C...
3 meas.
3D
#7872
Au(1)
donors: {"O": 3, "P": 1, "Cl": 1}
COc1ccc2cc(-c3ccc(P(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c(=O)oc2c1.[Cl-]
1 meas.
3D
#7871
Au(1)
donors: {"N": 1, "O": 2, "P": 2}
[C-]#CCN1C(=O)c2cccc3cccc(c23)C1=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7870
Au(1)
donors: {"N": 3, "O": 1, "I": 1}
CCn1[c-][n+](CC)c(-c2ccccc2)c1-c1ccc(OC)cn1.[I-]
2 meas.
3D
#7869
Au(3)
donors: {"N": 3, "O": 6, "S": 2}
CN(C)Cc1[c-]cccc1.O=C1[N-]S(=O)(=O)c2ccccc21.O=C1[N-]S(=O)(=O)c2ccccc21
1 meas.
3D
#7868
Au(1)
donors: {"O": 2, "N": 2, "F": 1, "Cl": 1}
COc1ccc(-c2c3ccccc(N4[C-]=[N+](C(C)C)CC4)c-3c(-c3ccc(OC)cc3)c2-c2ccccc2F)cc1.[Cl-]
4 meas.
3D
#7867
Au(3)
donors: {"N": 4, "S": 5}
CN(C)C(=S)[S-].CN(C)C(=S)[S-].Cc1ccnc([S-])n1
1 meas.
3D
#7866
Au(1)
donors: {"Cl": 1, "N": 3}
[Cl-].c1ccc(-c2nc3ccccc3[nH]2)nc1
2 meas.
3D
#7865
Au(1)
donors: {"Cl": 1, "P": 1, "S": 1}
[Cl-].c1ccc(P2c3cscc3-c3cccc4cccc2c34)cc1
4 meas.
3D
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31/189 (9414 total)