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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
Rh
Ru
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#7814
Au(1)
donors: {"N": 2, "P": 1}
CCn1[c-][n+](CC)c2ccccc21.CP(C)C
2 meas.
3D
#7813
Au(1)
donors: {"N": 6, "Cl": 1, "S": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.Clc1ccc(CSc2ncnc3[n-]cnc23)cc1
5 meas.
3D
#7812
Ir(3)
donors: {"O": 2, "N": 9, "Cl": 2}
O=C(CCCn1c(-c2ccccn2)nc2ccccc21)NCCNC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
1 meas.
3D
#7811
Ir(3)
donors: {"S": 2, "N": 10}
[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc(CN(Cc2ccccn2)c2ccnc(-c3cc(N(Cc4ccccn4)Cc4ccccn4)ccn3)c2)nc1
5 meas.
3D
#7810
Au(1)
donors: {"N": 3, "P": 1, "O": 3}
C1N2CN3CN1CP(C2)C3.[C-]#CCOc1cc(=O)oc2ccccc12
2 meas.
3D
#7809
Au(1)
donors: {"O": 5, "N": 3, "S": 1, "P": 1}
COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#7808
Au(1)
donors: {"Cl": 1, "N": 2}
[Cl-].[c-]1n(C(c2ccccc2)c2ccccc2)c2ccccc2[n+]1C(c1ccccc1)c1ccccc1
4 meas.
3D
#7807
Au(3)
donors: {"Cl": 2, "N": 3}
[Cl-].[Cl-].c1ccc(-c2cc(-c3ccccc3)n(Cc3ccccn3)n2)cc1
1 meas.
3D
#7806
Au(3)
donors: {"O": 3, "P": 1, "N": 5}
CCCOP(=O)(Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[n-]5)C=C4)C=C3)cc1)OCCC
2 meas.
3D
#7805
Ir(3)
donors: {"O": 1, "Cl": 2, "N": 4, "P": 1}
C/C(=C/C(=O)c1ccc(Cl)cc1Cl)[N-]c1ccccc1.C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)[c-](C)c1C
4 meas.
3D
#7804
Au(1)
donors: {"O": 2, "N": 4}
OCC[n+]1[c-]n2ccccc2c1.OCC[n+]1[c-]n2ccccc2c1
12 meas.
3D
#7803
Au(1)
donors: {"O": 2, "N": 3, "F": 1, "Cl": 1, "P": 1}
[C-]#CCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7802
Au(3)
donors: {"O": 4, "N": 2, "Cl": 2}
CCCOC(=O)[C@H](CC1CCCCC1)NCCN[C@@H](CC1CCCCC1)C(=O)OCCC.[Cl-].[Cl-]
3 meas.
3D
#7801
Au(1)
donors: {"N": 3, "P": 1}
[C-]#CCN(Cc1ccccn1)Cc1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#7800
Au(1)
donors: {"N": 2, "P": 1}
CCn1[c-][n+](CC)c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1
14 meas.
3D
#7799
Au(1)
donors: {"Cl": 2, "N": 2}
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.[Cl-]
3 meas.
3D
#7798
Au(1)
donors: {"O": 2, "N": 3, "Cl": 1}
COC(=O)C(Cc1ccccc1)NCCn1[c-][n+](C(C)(C)C)cc1.[Cl-]
1 meas.
3D
#7797
Au(3)
donors: {"O": 4, "N": 2}
CC(C)(C)c1c[c-]c(-c2[c-]cc(C(C)(C)C)cc2)cc1.COC(=O)c1ccnc(-c2cc(C(=O)OC)ccn2)c1
4 meas.
3D
#7796
Au(1)
donors: {"N": 1, "O": 1, "P": 1}
[C-]#CCNC(=O)C(C)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#7795
Ir(3)
donors: {"O": 2, "N": 3, "Cl": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C(CCC[N-]C(=O)c1ccccn1)NCc1ccc2ccc3cccc4ccc1c2c34.[Cl-]
1 meas.
3D
#7794
Au(1)
donors: {"O": 3, "N": 2, "S": 1, "P": 1}
COC(=O)CNC(=O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#7793
Au(1)
donors: {"N": 3, "P": 1}
[N-]=[N+]=[N-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7792
Au(1)
donors: {"P": 1, "N": 1, "S": 2}
CC(C)P(C(C)C)C(C)C.CN(C)C(=S)[S-]
2 meas.
3D
#7791
Au(1)
donors: {"O": 3, "S": 3, "P": 1, "N": 1}
O=S(=O)([O-])c1cccc(P(c2ccccc2)c2ccccc2)c1.[S-]c1nc2ccccc2s1
2 meas.
3D
#7790
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...
3 meas.
3D
#7789
Au(1)
donors: {"N": 1, "P": 1}
Cc1ccncc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7788
Au(1)
donors: {"O": 4, "S": 1, "P": 1}
COC1O[C@H](C[S-])[C@H]2OC(C)(C)O[C@@H]12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7787
Au(1)
donors: {"P": 4, "N": 4}
C[P@@](c1nc2ccccc2nc1[P@](C)C(C)(C)C)C(C)(C)C.C[P@@](c1nc2ccccc2nc1[P@](C)C(C)(C)C)C(C)(C)C
4 meas.
3D
#7786
Au(1)
donors: {"N": 4, "P": 2}
c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2nc3ccccc3nc2P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7785
Au(1)
donors: {"N": 3, "F": 1, "O": 1, "Br": 1}
CCCn1[c-][n+](CC)c(-c2cccc(F)c2)c1-c1ccc(OC)cn1.[Br-]
1 meas.
3D
#7784
Au(3)
donors: {"N": 5, "S": 2}
Cc1c[c-]c(-c2ccccn2)cc1.N=C(N)[S-].N=C(N)[S-]
1 meas.
3D
#7783
Au(3)
donors: {"O": 6, "N": 5, "S": 2, "Br": 2}
CCOC(=O)CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CN(C)C(=S)[S-].[Br-].[Br-]
4 meas.
3D
#7782
Au(3)
donors: {"N": 2, "Cl": 3}
Cc1c2ccccn2[c-][n+]1-c1ccccc1.[Cl-].[Cl-].[Cl-]
3 meas.
3D
#7781
Au(3)
donors: {"N": 2, "Cl": 1}
CC(C)(C)c1c[c-]c(-c2[c-]cc(C(C)(C)C)cc2)cc1.C[n+]1[c-]n(-c2ccccc2)c2c1CCCC2.[Cl-]
2 meas.
3D
#7780
Au(3)
donors: {"N": 3, "F": 3, "Cl": 1}
CC(C)(C)c1c[c-]c(-c2[c-]cc(C(C)(C)C)cc2)cc1.C[n+]1[c-]n(-c2cc(C(F)(F)F)ccn2)cc1.[Cl-]
2 meas.
3D
#7779
Au(1)
donors: {"N": 2, "Cl": 1}
CCN1[C-]=[N+](CC)[C@H](c2ccccc2)[C@H]1c1ccccc1.[Cl-]
2 meas.
3D
#7778
Au(1)
donors: {"N": 4, "O": 2}
CCn1[c-][n+](CC)c(-c2ccc(-c3ccccc3)cc2)c1-c1ccc(-c2ccccc2)cc1.CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
1 meas.
3D
#7777
Au(3)
donors: {"N": 2, "Cl": 3}
Cn1[c-][n+](Cc2ccccc2)cc1.[Cl-].[Cl-].[Cl-]
9 meas.
3D
#7776
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[n-]2)cc1
4 meas.
3D
#7775
Au(3)
donors: {"Cl": 1, "N": 1}
[Cl-].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
3 meas.
3D
#7774
Au(3)
donors: {"O": 4, "N": 2, "Cl": 2}
CCCCOC(=O)[C@H](CC1CCCCC1)NCCN[C@@H](CC1CCCCC1)C(=O)OCCCC.[Cl-].[Cl-]
3 meas.
3D
#7773
Au(1)
donors: {"N": 2}
Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)c3ccccc32)c(C)c1.[C-]#CC(C)(C)C
3 meas.
3D
#7772
Au(1)
donors: {"O": 2, "N": 3, "P": 1}
O=[N+]([O-])c1cn[n-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
7 meas.
3D
#7771
Ir(3)
donors: {"O": 1, "N": 6}
Cc1cc(O)ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
3D
#7770
Au(1)
donors: {"N": 2, "S": 1}
CCn1[c-][n+](CC)c(-c2ccc(-c3ccccc3)cc2)c1-c1ccc(-c2ccccc2)cc1.[S-]C1CCCCC1
3 meas.
3D
#7769
Au(1)
donors: {"N": 2, "Br": 1}
CCn1[c-][n+](CC)cc1.[Br-]
6 meas.
3D
#7768
Au(1)
donors: {"N": 5, "S": 1, "P": 1}
Cc1ccnc([S-])n1.c1ccc(C[N+]23CN4CN(CP(C4)C2)C3)cc1
2 meas.
3D
#7767
Au(1)
donors: {"N": 4}
[c-]1c2c(n3[n+]1CCCC3)CCCC2.[c-]1n(C(c2ccccc2)c2ccccc2)c2ccccc2[n+]1C(c1ccccc1)c1ccccc1
1 meas.
3D
#7766
Au(1)
donors: {"N": 3, "S": 1, "O": 1, "P": 1}
NC(=S)N/N=C/c1ccc(O)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#7765
Au(1)
donors: {"S": 1, "N": 2, "P": 1}
[S-]/C(=N\c1ccccc1)N1CCCCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
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33/189 (9414 total)