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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
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Metal
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#8914
Au(3)
donors: {"N": 5, "Cl": 1}
Cn1nc(-c2cccc(-c3cc(C(C)(C)C)n(C)n3)n2)cc1C(C)(C)C.[Cl-]
5 meas.
3D
#8913
Au(1)
donors: {"O": 1, "S": 1, "N": 2}
CC(=O)[S-].[c-]1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1
1 meas.
3D
#8912
Au(3)
donors: {"N": 2, "Cl": 3}
CCn1[c-][n+](CC)cc1.[Cl-].[Cl-].[Cl-]
3 meas.
3D
#8911
Au(3)
donors: {"O": 1, "N": 3, "S": 1, "Cl": 1}
Cc1ccc([O-])c(C=NN=C([S-])N(C)C)c1.[Cl-]
5 meas.
3D
#8910
Au(1)
donors: {"N": 2, "Cl": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)c2c1-c1cccc3cccc-2c13.[Cl-]
11 meas.
3D
#8909
Au(1)
donors: {"O": 2, "N": 3, "F": 1, "Cl": 1, "P": 1}
[C-]#CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8908
Au(3)
donors: {"N": 6}
c1ccc([N-]c2cccc(-c3cccc([N-]c4ccccn4)n3)n2)nc1
4 meas.
3D
#8907
Au(3)
donors: {"O": 4, "N": 2, "Cl": 2}
CCCCOC(=O)[C@H](CC(C)C)NCCN[C@@H](CC(C)C)C(=O)OCCCC.[Cl-].[Cl-]
4 meas.
3D
#8906
Au(1)
donors: {"O": 4, "N": 2, "Cl": 1}
COc1cc(C[n+]2[c-]n(C)cc2)c(OC)c2c1C(=O)c1ccccc1C2=O.[Cl-]
1 meas.
3D
#8905
Au(1)
donors: {"O": 2, "N": 2, "S": 1, "P": 1}
O=C(O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccn2)cc1
4 meas.
3D
#8904
Au(3)
donors: {"Cl": 3, "N": 2}
[Cl-].[Cl-].[Cl-].c1cnc2c(c1)ccc1ncccc12
4 meas.
3D
#8903
Au(3)
donors: {"N": 4}
NCCN.NCCN
4 meas.
3D
#8902
Au(1)
donors: {"N": 2, "O": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.[O-]c1ccccc1
4 meas.
3D
#8901
Au(1)
donors: {"N": 3, "P": 1}
[C-](\NCc1ccccn1)=[NH+]\C1CCCCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8900
Au(1)
donors: {"N": 2, "Br": 1}
CCN1[C-]=[N+](CC)[C@@H](c2ccccc2)[C@H]1c1ccccc1.[Br-]
2 meas.
3D
#8899
Au(1)
donors: {"N": 5, "P": 1, "S": 1}
C1N2CN3CN1CP(C2)C3.[S-]c1ncccn1
2 meas.
3D
#8898
Au(1)
donors: {"N": 2, "Cl": 1}
Cc1c(C)n(-c2c(C(C)C)cccc2C(C)C)c(=[Se])n1-c1c(C(C)C)cccc1C(C)C.[Cl-]
7 meas.
3D
#8897
Au(1)
donors: {"N": 2, "F": 2, "O": 5, "P": 1}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H]...
3 meas.
3D
#8896
Au(1)
donors: {"O": 2, "N": 2, "F": 1, "Cl": 1}
COc1ccc(-c2c3ccc(N/[C-]=[N+](\C)c4ccccc4)ccc-3c(-c3ccc(OC)cc3)c2-c2ccc(F)cc2)cc1.[Cl-]
4 meas.
3D
#8895
Au(1)
donors: {"N": 3, "F": 3, "Cl": 2}
C[n+]1[c-]n(CCc2ncc(C(F)(F)F)cc2Cl)cc1.[Cl-]
13 meas.
3D
#8894
Au(3)
donors: {"N": 3, "O": 4}
CN(C)Cc1[c-]cccc1.O=C1[N-]c2ccccc2C1=O.O=C1[N-]c2ccccc2C1=O
1 meas.
3D
#8893
Au(3)
donors: {"N": 2, "S": 8}
CCn1c([S-])c([S-])sc1=S.CCn1c([S-])c([S-])sc1=S
18 meas.
3D
#8892
Au(3)
donors: {"O": 9, "S": 1, "Cl": 1, "N": 1}
CC(=O)OCC1OC([S-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.[Cl-].[c-]1ccccc1Cc1ccccn1
6 meas.
3D
#8891
Au(3)
donors: {"N": 2, "S": 2}
CCn1c([Se-])c([Se-])sc1=[Se].CCn1c([Se-])c([Se-])sc1=[Se]
6 meas.
3D
#8890
Au(1)
donors: {"O": 2, "N": 4, "S": 1}
OC1CCCCC1[n+]1[c-]n(Cc2ccccc2)cc1.Oc1ccnc([S-])n1
1 meas.
3D
#8889
Au(1)
donors: {"F": 30, "N": 4}
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[n+]1[c-]n(Cc2ccccc2)cc1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)...
1 meas.
3D
#8888
Au(3)
donors: {"N": 3, "S": 2, "O": 4}
CN(C)Cc1[c-]cccc1.Cc1ccc(S(=O)(=O)[N-]CC[N-]S(=O)(=O)c2ccc(C)cc2)cc1
1 meas.
3D
#8887
Au(3)
donors: {"N": 2, "S": 2, "O": 2}
CCN(CC)C(=S)[S-].[c-]1ccccc1-c1nccc2cc3c(cc12)OCO3
5 meas.
3D
#8886
Au(3)
donors: {"N": 4, "S": 1, "Cl": 2}
N=C([S-])N1N=C(c2ccccn2)CC1c1cccc(Cl)c1.[Cl-]
2 meas.
3D
#8885
Au(1)
donors: {"S": 3, "O": 2, "N": 1, "P": 1}
Cc1ccc(S(=O)(=O)NC(=S)[S-])cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#8884
Au(3)
donors: {"N": 7, "S": 1}
CC(C)(C)c1c[c-]c(-c2cncc(-c3[c-]cc(C(C)(C)C)cc3)n2)cc1.Nc1nc([S-])c2[nH]cnc2n1
4 meas.
3D
#8883
Au(1)
donors: {"O": 1, "P": 2}
[C-]#CCOCc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8882
Ir(3)
donors: {"O": 1, "N": 6}
Cc1cc(O)ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
4 meas.
3D
#8881
Au(1)
donors: {"N": 4, "O": 2, "Cl": 4}
Cn1[c-][n+](CC(O)c2ccccc2)c(Cl)c1Cl.Cn1[c-][n+](CC(O)c2ccccc2)c(Cl)c1Cl
5 meas.
3D
#8880
Au(3)
donors: {"N": 4, "O": 2}
CN(C)c1ccc(C=NCCN=Cc2ccc(N(C)C)cc2[O-])c([O-])c1
4 meas.
3D
#8879
Au(3)
donors: {"N": 5}
N[C@@H]1CCCC[C@H]1N.[c-]1ccccc1[C@@]1(c2ccccn2)[N-]C2CCCCC2N1
15 meas.
3D
#8878
Ir(3)
donors: {"N": 4, "S": 2}
[c-]1ccc2ccccc2c1-c1nc2ccccc2s1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1.c1ccc(-c2ccccn2)nc1
1 meas.
3D
#8877
Au(1)
donors: {"O": 2, "S": 3, "N": 1, "P": 1}
O=S(=O)(NC(=S)[S-])c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8876
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](C)cc1.CN1CCN(C)C1=[Se]
3 meas.
3D
#8875
Au(3)
donors: {"O": 2, "N": 3, "P": 2, "Cl": 1}
O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.[Cl-].[c-]1ccccc1-c1ccc(-c2ccccn2)cc...
5 meas.
3D
#8874
Au(1)
donors: {"N": 1, "P": 1, "Cl": 1}
NC1CCCCC1P(c1ccccc1)c1ccccc1.[Cl-]
3 meas.
3D
#8873
Au(3)
donors: {"N": 1}
[C-]#Cc1ccc(C)cc1.[C-]#Cc1ccc(C)cc1.[c-]1ccccc1Cc1ccccn1
1 meas.
3D
#8872
Au(1)
donors: {"Cl": 1, "N": 4}
[Cl-].[c-]1n(Cc2ccccn2)cc[n+]1-c1c2ccccc2nc2ccccc12
4 meas.
3D
#8871
Au(1)
donors: {"O": 3, "F": 2, "P": 1}
O=C([O-])c1cc(-c2ccc(F)cc2F)ccc1O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8870
Au(3)
donors: {"O": 1, "N": 5, "S": 1, "Cl": 1}
Cc1ccc([O-])c(C=NN=C([S-])N(N2CCC(C)CC2)N2CCC(C)CC2)c1.[Cl-]
5 meas.
3D
#8869
Au(1)
donors: {"N": 2, "Cl": 1}
CCN1[C-]=[N+](CC)[C@@H](c2ccccc2)[C@@H]1c1ccccc1.[Cl-]
2 meas.
3D
#8868
Au(1)
donors: {"O": 2, "S": 1, "P": 1}
[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.c1ccc(P(c2cccc...
5 meas.
3D
#8867
Ir(3)
donors: {"N": 4, "O": 2, "P": 1}
Cc1ccnc(-c2cc(C(=O)OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
5 meas.
3D
#8866
Au(1)
donors: {"F": 3, "N": 2}
[C-]#Cc1ccc(C(F)(F)F)cc1.[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1
2 meas.
3D
#8865
Au(1)
donors: {"O": 6}
[C-]#CCOc1ccc2c(C)cc(=O)oc2c1.[C-]#CCOc1ccc2c(C)cc(=O)oc2c1
2 meas.
3D
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11/189 (9414 total)