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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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#8764
Au(1)
donors: {"S": 1, "P": 1}
[C-]#CCSc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#8763
Au(3)
donors: {"N": 3}
CCCC[n+]1[c-]n(Cc2ccccc2)cc1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
4 meas.
3D
#8762
Au(3)
donors: {"N": 4, "O": 1}
CN(C)c1ccncc1.[OH-].c1cnc2c(c1)ccc1cccnc12
5 meas.
3D
#8761
Au(1)
donors: {"N": 4}
Cc1cc2nc[n-]c2cc1C.[c-]1n(C23CC4CC(CC(C4)C2)C3)cc[n+]1C12CC3CC(CC(C3)C1)C2
4 meas.
3D
#8760
Au(1)
donors: {"N": 2}
CCC(CC)c1ccccc1-n1[c-][n+](-c2ccccc2C(CC)CC)cc1.[Se-]c1ccccc1
4 meas.
3D
#8759
Au(1)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1-[n+]1[c-]n2c(-c3ccccc3)cccc2c1.[Se-]c1ccccc1
4 meas.
3D
#8758
Au(1)
donors: {"N": 2, "O": 2, "Cl": 1}
CCn1[c-][n+](CC)c2cc(C(=O)OC)ccc21.[Cl-]
3 meas.
3D
#8757
Au(3)
donors: {"N": 4, "O": 4, "Br": 2}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[Br-].[Br-]
3 meas.
3D
#8756
Au(3)
donors: {"N": 2, "S": 4}
CCn1c([Se-])c([Se-])sc1=S.CCn1c([Se-])c([Se-])sc1=S
3 meas.
3D
#8755
Au(3)
donors: {"N": 3, "O": 1, "Cl": 1, "Br": 3}
N/C(Cc1ccccc1)=N/NC(=O)c1ccc(Cl)cc1.[Br-].[Br-].[Br-]
1 meas.
3D
#8754
Au(1)
donors: {"N": 2, "O": 7, "P": 1}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)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@...
3 meas.
3D
#8753
Au(1)
donors: {"P": 4, "N": 8}
c1ccc(P(CCCP(c2ccccn2)c2ccccn2)c2ccccn2)nc1.c1ccc(P(CCCP(c2ccccn2)c2ccccn2)c2ccccn2)nc1
2 meas.
3D
#8752
Au(1)
donors: {"N": 4, "O": 4}
CCn1[c-][n+](CC)c(-c2ccc(O)cc2)c1-c1ccc(O)cc1.CCn1[c-][n+](CC)c(-c2ccc(O)cc2)c1-c1ccc(O)cc1
3 meas.
3D
#8751
Au(1)
donors: {"N": 4}
Cc1cc(C(c2ccccc2)c2ccccc2)c(-n2[c-][n+](-c3c(C(c4ccccc4)c4ccccc4)cc(C)cc3C(c3ccccc3)c3ccccc3)cc2)c(C(c2ccccc2)c2ccccc2)c...
4 meas.
3D
#8750
Au(3)
donors: {"N": 3, "S": 2, "Cl": 1}
CN/C([S-])=N/N=C(\C)c1[c-]ccs1.[Cl-]
1 meas.
3D
#8749
Au(3)
donors: {"O": 3, "N": 5}
COC(=O)C(CC[Se]C)NC(=O)c1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc([n-]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[n-]4)C=C3)C=C2
6 meas.
3D
#8748
Au(1)
donors: {"O": 9, "S": 1, "N": 2, "Cl": 1}
CC(=O)OC[C@H]1O[C@@H](SCC[n+]2[c-]n(C)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.[Cl-]
3 meas.
3D
#8747
Au(1)
donors: {"S": 1, "N": 1, "P": 1, "Cl": 1}
Sc1ccccc1CCNCc1ccccc1P(c1ccccc1)c1ccccc1.[Cl-]
13 meas.
3D
#8746
Au(1)
donors: {"O": 1, "N": 2, "P": 1, "S": 2}
O=C(NCCP(c1ccccc1)c1ccccc1)c1cccs1.[S-]c1ccccn1
4 meas.
3D
#8745
Au(1)
donors: {"N": 4, "O": 2, "S": 1}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[S-]c1ncccn1
1 meas.
3D
#8744
Au(3)
donors: {"N": 4, "S": 1, "Cl": 2}
C/C(=N\N=C(/[S-])Nc1ccccc1Cl)c1ccccn1.[Cl-]
3 meas.
3D
#8743
Au(1)
donors: {"N": 3, "S": 2}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.CN(C)C(=S)[S-]
3 meas.
3D
#8742
Au(1)
donors: {"N": 6, "O": 2}
CCC[n+]1[c-]n(CC)c(-c2ccccc2)c1-c1ccc(OC)nc1.CCC[n+]1[c-]n(CC)c(-c2ccccc2)c1-c1ccc(OC)nc1
3 meas.
3D
#8741
Au(1)
donors: {"N": 3, "Cl": 1}
Cn1[c-][n+](-c2c3ccccc3nc3ccccc23)cc1.[Cl-]
4 meas.
3D
#8740
Au(1)
donors: {"P": 1, "F": 1, "N": 2, "S": 1, "O": 1}
CCP(CC)CC.Fc1ccc(-c2nnc([S-])o2)cc1
3 meas.
3D
#8739
Au(1)
donors: {"N": 5, "O": 2}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.O=[N+]([O-])c1cc2cccnc2c2ncccc12
1 meas.
3D
#8738
Au(1)
donors: {"N": 1, "S": 2, "P": 1}
CCCCCCCCCCCCN1CCSC1=S.CCP(CC)CC
3 meas.
3D
#8737
Au(1)
donors: {"S": 1, "N": 4, "P": 1}
[S-]c1ccccn1.c1ccc(C[N+]23CN4CN(CP(C4)C2)C3)cc1
2 meas.
3D
#8736
Au(3)
donors: {"O": 2, "N": 2, "Cl": 2}
COc1cc[c-]c(-c2cccc(OC)n2)n1.[Cl-].[Cl-]
1 meas.
3D
#8735
Au(1)
donors: {"N": 8, "O": 4}
CCn1c(=O)c2c(n(C)[c-][n+]2C)n(C)c1=O.CCn1c(=O)c2c(n(C)[c-][n+]2C)n(C)c1=O
3 meas.
3D
#8734
Au(1)
donors: {"N": 6, "O": 5}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[C-]#Cc1ccc(Nc2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)cc1
2 meas.
3D
#8733
Au(3)
donors: {"N": 6, "S": 2}
CN/C([S-])=N/N=C(C(=N/N=C(\[S-])NC)/c1ccccc1)\c1ccccc1
3 meas.
3D
#8732
Ir(3)
donors: {"N": 4, "S": 2}
C(=N/c1ccccc1)\c1ccccn1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1.[c-]1ccc2ccccc2c1-c1nc2ccccc2s1
1 meas.
3D
#8731
Au(3)
donors: {"N": 7, "O": 2, "Cl": 1}
Cn1nc([N-]C(=O)c2cccc(C(=O)[N-]c3nn(C)c4ccccc34)n2)c2ccccc21.[Cl-]
4 meas.
3D
#8730
Au(3)
donors: {"N": 3}
CC(C)(C)c1c[c-]c(-c2[c-]cc(C(C)(C)C)cc2)cc1.[c-]1n2ccccc2c[n+]1Cc1ccccn1
4 meas.
3D
#8729
Au(1)
donors: {"O": 9, "S": 4, "P": 1, "N": 1}
O=S(=O)([O-])c1cccc(P(c2cccc(S(=O)(=O)[O-])c2)c2cccc(S(=O)(=O)[O-])c2)c1.[Na+].[Na+].[Na+].[S-]c1ccccn1
2 meas.
3D
#8728
Au(1)
donors: {"O": 3, "N": 1, "P": 1, "Cl": 1}
COC(=O)CNC(=O)[c]12->[Fe+2]3456789(<-[cH-]1[c]3[c]4[c]25)<-[cH-]1[c]6[c]7[c]8[c]->91P(c1ccccc1)c1ccccc1.[Cl-]
3 meas.
3D
#8727
Au(1)
donors: {"N": 3, "O": 1, "Br": 1}
CCn1[c-][n+](CC)c(-c2ccccc2)c1-c1ccc(OC)cn1.[Br-]
2 meas.
3D
#8726
Ir(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
4 meas.
3D
#8725
Au(1)
donors: {"N": 2, "Cl": 1}
Cc1c(C)[n+](Cc2ccccc2)[c-]n1Cc1ccccc1.[Cl-]
13 meas.
3D
#8724
Au(1)
donors: {"P": 2, "O": 1, "N": 5}
c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1coc(CNc2ncnc3[n-]cnc23)c1
9 meas.
3D
#8723
Au(1)
donors: {"Br": 1, "N": 2, "I": 1, "P": 1}
Brc1cnc2[n-]cc(I)c2c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8722
Au(3)
donors: {"N": 5, "S": 2}
N=C(N)[S-].N=C(N)[S-].[c-]1ccccc1Cc1ccccn1
1 meas.
3D
#8721
Au(1)
donors: {"Cl": 1, "N": 1, "P": 1}
[Cl-].c1ccc(CNCc2ccccc2P(c2ccccc2)c2ccccc2)cc1
13 meas.
3D
#8720
Au(1)
donors: {"N": 2, "O": 2, "Cl": 1}
Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1.[Cl-]
1 meas.
3D
#8719
Au(1)
donors: {"N": 3, "Br": 1, "P": 1}
Cc1[nH]nc(N)c1-c1ccc(Br)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
3D
#8718
Ir(3)
donors: {"N": 4, "P": 1, "O": 2}
C1N2CN3CN1CP(C2)C3.CCOc1ccc(C(=O)/C=C(/C)[N-]c2ccccc2)cc1.Cc1c(C)c(C)[c-](C)c1C
4 meas.
3D
#8717
Au(1)
donors: {"N": 2, "O": 2, "F": 5, "P": 1}
Cn1[c-][n+](Cc2ccc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8716
Au(1)
donors: {"N": 2}
Cn1[c-][n+](C)cc1.[C-]#Cc1ccccc1
5 meas.
3D
#8715
Au(1)
donors: {"N": 4, "O": 10}
CC[n+]1[c-]n(CCCCCOC(=O)[C@]23CC[C@@H](C)[C@H](C)[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)C...
5 meas.
3D
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14/189 (9414 total)