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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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#8064
Au(1)
donors: {"N": 2, "P": 1}
Cn1cnc2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#8063
Au(3)
donors: {"N": 3, "S": 1, "Cl": 2, "O": 1}
CN(C)C([S-])=NN=C(c1ccccc1)c1cc(Cl)ccc1[O-].[Cl-]
4 meas.
3D
#8062
Au(1)
donors: {"O": 2, "N": 5, "P": 1, "S": 1}
COC(=O)C[N+]12CN3CN(CP(C3)C1)C2.Cc1ccnc([S-])n1
2 meas.
3D
#8061
Au(3)
donors: {"F": 3, "N": 1, "O": 7}
FC(F)(F)c1cc(-c2[c-]cccc2)nc(-c2[c-]cccc2)c1.[CH2-]Cc1ccc(OCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
6 meas.
3D
#8060
Au(1)
donors: {"F": 1, "N": 2, "S": 1, "O": 1, "P": 1}
Fc1ccc(-c2nnc([S-])o2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8059
Au(1)
donors: {"N": 3}
CC(C)c1cccc(C(C)C)c1[N+]1=[C-]C2(CC1(C)C)C1CC3CC(C1)CC2C3.Cc1cccc(C)c1N[C-]=[N+]1CCCC1
3 meas.
3D
#8058
Au(1)
donors: {"P": 1, "N": 1, "S": 1}
CCP(CC)CC.N#C[S-]
15 meas.
3D
#8057
Au(1)
donors: {"N": 4}
C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
3 meas.
3D
#8056
Au(1)
donors: {"N": 4, "O": 4, "F": 10}
Cn1[c-][n+](Cc2ccc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)cc1.Cn1[c-][n+](Cc2ccc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)cc1
2 meas.
3D
#8055
Au(1)
donors: {"Br": 1, "N": 2}
Brc1c[n-]c2ncccc12
3 meas.
3D
#8054
Au(1)
donors: {"N": 4, "P": 1, "O": 3}
C1N2CN3CN1CP(C2)C3.[C-]#CCNC(=O)C=Cc1ccc(OC)c(OC)c1
4 meas.
3D
#8053
Au(1)
donors: {"N": 6}
CN(C)c1ccc(-n2[c-][n+](Cc3ccccc3)cc2)cc1.CN(C)c1ccc(-n2[c-][n+](Cc3ccccc3)cc2)cc1
3 meas.
3D
#8052
Au(3)
donors: {"N": 3, "O": 6, "Cl": 2}
CN(C)CCNCCNC(=O)CCCCCO[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O.[Cl-].[Cl-]
4 meas.
3D
#8051
Au(1)
donors: {"N": 8, "O": 4}
Cn1[c-][n+](C)c2c(=O)n(Cc3ccccc3)c(=O)n(C)c21.Cn1[c-][n+](C)c2c(=O)n(Cc3ccccc3)c(=O)n(C)c21
3 meas.
3D
#8050
Au(1)
donors: {"N": 4, "P": 1, "S": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.[S-]c1nc2ccccc2o1
2 meas.
3D
#8049
Au(1)
donors: {"N": 2, "Cl": 3}
Cn1[c-][n+](C)c(Cl)c1Cl.[Cl-]
2 meas.
3D
#8048
Au(1)
donors: {"O": 2, "S": 1, "N": 2}
COC(=O)c1ccc([S-])cc1.[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1
3 meas.
3D
#8047
Au(1)
donors: {"O": 2, "N": 3, "P": 1, "Cl": 1}
O=Cc1cc(C[N+]23CN4CN(CP(C4)C2)C3)ccc1O.[Cl-]
5 meas.
3D
#8046
Au(1)
donors: {"O": 2, "N": 6, "P": 1, "S": 1}
O=[N+]([O-])c1ccc(CC[N+]23CN4CN(CP(C4)C2)C3)cc1.[S-]c1ncccn1
2 meas.
3D
#8045
Au(3)
donors: {"N": 7}
CCCCCCCCCCCCCCCCn1[c-][n+](CCCCCCCCCCCCCCCC)cc1.c1cc(-c2ncc[n-]2)nc(-c2ncc[n-]2)c1
1 meas.
3D
#8044
Au(1)
donors: {"O": 1, "P": 1}
[C-]#CCOC.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#8043
Au(1)
donors: {"O": 1, "N": 5, "S": 1, "P": 1}
Cc1cc(O)nc([S-])n1.c1ccc(P(c2ccccc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
3 meas.
3D
#8042
Au(1)
donors: {"N": 2, "O": 3}
Cn1[c-][n+](C)cc1.[C-]#CCOc1c(-c2ccccc2)oc2ccccc2c1=O
1 meas.
3D
#8041
Au(1)
donors: {"O": 4, "N": 4, "S": 1, "P": 1}
OC[C@H]1O[C@H](n2cnc3c([S-])ncnc32)[C@H](O)[C@@H]1O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
12 meas.
3D
#8040
Au(1)
donors: {"N": 4}
[c-]1n(C23CC4CC(CC(C4)C2)C3)cc[n+]1C12CC3CC(CC(C3)C1)C2.c1c[n-]cn1
4 meas.
3D
#8039
Au(1)
donors: {"N": 6}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
1 meas.
3D
#8038
Au(1)
donors: {"N": 2, "F": 2, "O": 1}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#Cc1ccc(OC)cc1
1 meas.
3D
#8037
Au(1)
donors: {"O": 5, "N": 2, "S": 1, "P": 1}
COC(=O)[C@@H]1CCCN1C(=O)[C@H](C[S-])NC(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8036
Au(3)
donors: {"O": 4, "N": 4, "Cl": 2}
CCOC(=O)c1cn(C)[c-][n+]1C.CCOC(=O)c1cn(C)[c-][n+]1C.[Cl-].[Cl-]
4 meas.
3D
#8035
Au(1)
donors: {"N": 2, "S": 2, "P": 1}
CCN(CC)C(=S)[S-].NC1CCCCC1P(c1ccccc1)c1ccccc1
3 meas.
3D
#8034
Au(1)
donors: {"Cl": 1, "N": 2}
[Cl-].[c-]1n2ccccc2c[n+]1Cc1ccccc1
12 meas.
3D
#8033
Au(1)
donors: {"N": 4, "S": 2, "O": 1, "P": 1}
Nc1ccnc([S-])n1.O=C(NCCP(c1ccccc1)c1ccccc1)c1cccs1
4 meas.
3D
#8032
Au(1)
donors: {"P": 1, "O": 5, "N": 5}
CCP(CC)CC.COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(-c2[c-][nH]nn2)cc1)NC(=O)OC(C)(C)C
2 meas.
3D
#8031
Au(1)
donors: {"Cl": 1, "P": 3}
[Cl-].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
3D
#8030
Au(1)
donors: {"N": 1, "S": 1, "O": 2, "P": 1}
CC(C)(C)c1cc(C(C)(C)C)c(/C=[NH+]/c2ccc([S-])cc2)c([O-])c1O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8029
Au(1)
donors: {"N": 6, "O": 4}
[NH3+][C@H](Cc1cn(Cc2ccccc2)[c-][n+]1Cc1ccccc1)C(=O)OCc1ccccc1.[NH3+][C@H](Cc1cn(Cc2ccccc2)[c-][n+]1Cc1ccccc1)C(=O)OCc1c...
5 meas.
3D
#8028
Au(1)
donors: {"S": 2, "N": 2, "P": 1}
[S-]c1nc2ccccc2s1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
6 meas.
3D
#8027
Au(1)
donors: {"N": 4, "P": 1, "S": 2}
CN(C)P(N(C)C)N(C)C.[S-]C1=NCCS1
4 meas.
3D
#8026
Au(3)
donors: {"N": 7}
Cn1[c-][n+](C)cc1.c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[n-]2)c1
1 meas.
3D
#8025
Au(1)
donors: {"N": 4}
CCCC[n+]1[c-]n(C)cc1.CCCC[n+]1[c-]n(C)cc1
18 meas.
3D
#8024
Au(1)
donors: {"N": 1, "S": 2, "P": 1}
CN(C)C(=S)[S-].CP(C)C
2 meas.
3D
#8023
Au(1)
donors: {"O": 4, "N": 3, "S": 1, "P": 1}
COC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#8022
Au(3)
donors: {"N": 5, "O": 4}
NCC(=O)[N-]CC(=O)[N-][C@@H](Cc1cnc[nH]1)C(=O)O
6 meas.
3D
#8021
Au(1)
donors: {"O": 2, "N": 4, "S": 1}
COC(=O)C=Cc1c[n+](C)[c-]n1C.[S-]c1ncccn1
2 meas.
3D
#8020
Au(1)
donors: {"O": 2, "N": 2, "Cl": 1}
CCO[C@H]1[C@H](OCC)[N+](c2c(C)cc(C)cc2C)=[C-]N1c1c(C)cc(C)cc1C.[Cl-]
4 meas.
3D
#8019
Au(1)
donors: {"F": 15, "N": 2, "Cl": 1}
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.[Cl-]
1 meas.
3D
#8018
Au(1)
donors: {"N": 1, "P": 1, "Cl": 1}
C(=Nc1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1.[Cl-]
13 meas.
3D
#8017
Au(1)
donors: {"Cl": 1, "N": 2}
[Cl-].[c-]1n(-c2ccccc2)c2c([n+]1-c1ccccc1)-c1cccc3cccc-2c13
1 meas.
3D
#8016
Ir(3)
donors: {"N": 6, "S": 1}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
5 meas.
3D
#8015
Au(1)
donors: {"N": 2, "Cl": 1}
CC(C)c1cc(C(c2ccccc2)c2ccccc2)cc(C(C)C)c1-n1[c-][n+]2c(ccc3ccccc32)c1.[Cl-]
2 meas.
3D
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28/189 (9414 total)