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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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#8464
Au(1)
donors: {"O": 14, "S": 2, "N": 1, "P": 1}
COC(=O)OCC1OC([S-])C(OC(=O)OC)C(OC(=O)OC)C1OC(=O)OC.O=C(NCCP(c1ccccc1)c1ccccc1)c1cccs1
3 meas.
3D
#8463
Au(1)
donors: {"N": 2, "Cl": 1}
CCN1[C-]=[N+](CC)[C@@H](c2ccccc2)[C@H]1c1ccccc1.[Cl-]
2 meas.
3D
#8462
Au(3)
donors: {"N": 6, "O": 2}
CC(C)(C)c1c[c-]c(-c2cncc(-c3[c-]cc(C(C)(C)C)cc3)n2)cc1.Cn1c(=O)c2c(n(C)[c-][n+]2C)n(C)c1=O
4 meas.
3D
#8461
Au(1)
donors: {"O": 8, "N": 2, "S": 1}
COc1ccc2c(Cn3[c-][n+](C)cc3)cc(=O)oc2c1.OC[C@@H]1O[C@H]([S-])[C@@H](O)[C@H](O)[C@H]1O
4 meas.
3D
#8460
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
#8459
Au(1)
donors: {"N": 4, "P": 1, "S": 1}
C1N2CN3CN1CP(C2)C3.[S-]c1ccccn1
2 meas.
3D
#8458
Au(1)
donors: {"P": 1, "N": 1, "S": 2}
CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.CCN(CC)C(=S)[S-]
3 meas.
3D
#8457
Au(1)
donors: {"N": 2, "O": 3, "Br": 1}
Cn1[c-][n+](C)cc1.[C-]#CCOc1c(-c2ccc(Br)cc2)oc2ccccc2c1=O
1 meas.
3D
#8456
Au(1)
donors: {"F": 4, "N": 4, "S": 2}
Fc1ccc(N2CCN(c3ccc(F)cc3)C2=S)cc1.Fc1ccc(N2CCN(c3ccc(F)cc3)C2=S)cc1
4 meas.
3D
#8455
Au(1)
donors: {"O": 9, "S": 1, "N": 2}
CC(=O)OCC1OC([S-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CCCC[n+]1[c-]n(C)cc1
4 meas.
3D
#8454
Au(1)
donors: {"N": 2}
Cc1cc(C)c(-[n+]2[c-]n(C)cc2)c(C)c1.[Se-]c1ccccc1
4 meas.
3D
#8453
Au(3)
donors: {"N": 3, "S": 2}
Cc1ccc(-c2ccc(C)cn2)nc1.S=C([S-])N(Cc1ccccc1)Cc1ccccc1
5 meas.
3D
#8452
Au(3)
donors: {"N": 6, "S": 2, "F": 3}
CCN(CC)C(=S)N=C([N-]N=C([S-])N(C)C)c1ccc(C(F)(F)F)cc1.C[NH+](C)Cc1[c-]cccc1
1 meas.
3D
#8451
Au(1)
donors: {"O": 2, "N": 4, "P": 1, "S": 1}
O=C(O)c1ccc(CC[N+]23CN4CN(CP(C4)C2)C3)cc1.[S-]c1ccccn1
2 meas.
3D
#8450
Ir(3)
donors: {"N": 5, "S": 1}
Cc1ccnc(-c2cc(-c3nc4ccccc4s3)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
12 meas.
3D
#8449
Au(3)
donors: {"N": 2, "O": 4, "S": 2, "Br": 2}
CN(CC(=O)NC(COC(C)(C)C)C(=O)OC(C)(C)C)C(=S)[S-].[Br-].[Br-]
4 meas.
3D
#8448
Au(1)
donors: {"N": 2, "O": 4}
CC(C)n1[c-][n+](C(C)C)cc1.[C-]#CCOc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O
1 meas.
3D
#8447
Au(1)
donors: {"O": 3, "N": 1, "P": 1, "Cl": 1}
O=C(NC(CO)CO)[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
#8446
Au(1)
donors: {"O": 10, "N": 4}
C=C(C)[C@@H]1CC[C@]2(C(=O)OCCCCCn3[c-][n+](CC)c(-c4ccc(OC)cc4)c3-c3ccc(OC)cc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](...
5 meas.
3D
#8445
Ir(3)
donors: {"N": 8}
CN1CCN(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)CC1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
2 meas.
3D
#8444
Au(3)
donors: {"N": 6, "S": 2, "F": 2}
CCN(CC)C(=S)N=C([N-]N=C([S-])N(C)C)c1cc(F)cc(F)c1.C[NH+](C)Cc1[c-]cccc1
1 meas.
3D
#8443
Au(1)
donors: {"N": 3, "P": 1, "O": 4}
C1N2CN3CN1CP(C2)C3.[C-]#CCOc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O
3 meas.
3D
#8442
Au(1)
donors: {"S": 1, "N": 2, "P": 2}
S=C(NCCP(c1ccccc1)c1ccccc1)Nc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8441
Au(1)
donors: {"N": 5, "S": 1, "P": 1}
N#C[S-].c1ccc(C[N+]23CN4CN(CP(C4)C2)C3)nc1
2 meas.
3D
#8440
Au(1)
donors: {"N": 2, "O": 2, "S": 1, "P": 1}
CN(C)CCN1C(=O)c2cccc3c([S-])ccc(c23)C1=O.CP(C)C
2 meas.
3D
#8439
Au(1)
donors: {"N": 1, "S": 2, "P": 1}
CCCCCCCCCCCCCCN1CCSC1=S.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8438
Au(3)
donors: {"N": 1}
Cc1cc(-c2[c-]cccc2)nc(-c2[c-]cccc2)c1.[H-]
13 meas.
3D
#8437
Au(1)
donors: {"N": 5, "O": 4, "P": 1}
[C-]#Cc1cccc(N=c2c3cc(OCCCN4CCOCC4)c(OC)cc3ncn2CCCN2CCOCC2)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
3D
#8436
Au(3)
donors: {"O": 4, "N": 3}
COc1ccc2ccc([O-])c(/C=N/[C@H]3CCCC[C@H]3/N=C/c3ccc(OCCN4CCCCC4)cc3[O-])c2c1
3 meas.
3D
#8435
Au(1)
donors: {"O": 2, "P": 1, "N": 4}
COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
2 meas.
3D
#8434
Au(1)
donors: {"F": 9, "N": 1, "P": 1, "S": 1}
Fc1[c-]c(F)c(F)c(F)c1F.Fc1ccc([C@H]2C[C@@H](c3ccc(C(F)(F)F)cc3)Nc3c2cccc3P(=S)(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8433
Au(3)
donors: {"N": 7, "Cl": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-]c(-c2cccc3c2[n-]c2c(-c4[c-]n(-c5c(C(C)C)cccc5C(C)C)n[n+]4-c4c(C(C)C)cccc4C(C)C)cccc23)[n+](-c...
2 meas.
3D
#8432
Au(3)
donors: {"N": 4, "Cl": 2}
CC(C)n1[c-][n+](C(C)C)c2ccccc21.CC(C)n1[c-][n+](C(C)C)c2ccccc21.[Cl-].[Cl-]
1 meas.
3D
#8431
Au(1)
donors: {"N": 2}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.[C-]
4 meas.
3D
#8430
Au(1)
donors: {"N": 4}
CCn1[c-][n+](CC)c(-c2ccccc2)c1.CCn1[c-][n+](CC)c(-c2ccccc2)c1
4 meas.
3D
#8429
Au(1)
donors: {"N": 5, "O": 13}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]...
1 meas.
3D
#8428
Au(1)
donors: {"Cl": 1, "N": 2}
[Cl-].[c-]1n(-c2c(C(c3ccccc3)c3ccccc3)cc(C(c3ccccc3)c3ccccc3)cc2C(c2ccccc2)c2ccccc2)c2c([n+]1-c1c(C(c3ccccc3)c3ccccc3)cc...
8 meas.
3D
#8427
Au(3)
donors: {"N": 6, "S": 2}
CCCN(CCC)C([S-])=N[N-]C(=NC(=S)N(CC)CC)c1ccccc1.C[NH+](C)Cc1[c-]cccc1
1 meas.
3D
#8426
Au(3)
donors: {"O": 2, "N": 3, "Cl": 2}
COC(=O)c1ccc(-n2c(-c3ccccn3)nc3ccccc32)cc1.[Cl-].[Cl-]
4 meas.
3D
#8425
Au(1)
donors: {"N": 1, "Cl": 1}
[C-]#[N+]Cc1ccccc1.[Cl-]
3 meas.
3D
#8424
Au(1)
donors: {"N": 2, "F": 2, "S": 1}
CCn1[c-][n+](CC)c(-c2ccc(-c3ccc(F)cc3)cc2)c1-c1ccc(-c2ccc(F)cc2)cc1.[S-]C1CCCCC1
3 meas.
3D
#8423
Ir(3)
donors: {"O": 2, "N": 4}
O=C1c2ccc[c-]c2-c2nccc3cccc1c23.O=C1c2ccc[c-]c2-c2nccc3cccc1c23.c1cnc2c(c1)ccc1cccnc12
4 meas.
3D
#8422
Au(3)
donors: {"N": 4, "O": 3, "Cl": 1}
NCC(=O)[N-]C(Cc1c[nH]cn1)C(=O)O.[Cl-]
8 meas.
3D
#8421
Au(1)
donors: {"O": 1, "N": 2, "Cl": 1}
O[C@@H]1Cc2ccccc2[C@@H]1/[NH+]=[C-]\NC1CCCCC1.[Cl-]
4 meas.
3D
#8420
Au(1)
donors: {"N": 3, "O": 1, "Br": 1}
CCCn1[c-][n+](CC)c(-c2ccccc2)c1-c1ccc(OC)cn1.[Br-]
1 meas.
3D
#8419
Au(3)
donors: {"O": 2, "N": 2, "Cl": 3}
CCOC(=O)c1cn(C)[c-][n+]1C.[Cl-].[Cl-].[Cl-]
4 meas.
3D
#8418
Au(3)
donors: {"Cl": 2, "N": 2}
[Cl-].[Cl-].c1cnc2c(c1)ccc1cccnc12
21 meas.
3D
#8417
Au(1)
donors: {"O": 3, "N": 2, "S": 1, "P": 1}
COC(=O)[C@H](C)NC(=O)c1cccnc1[S-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
5 meas.
3D
#8416
Au(1)
donors: {"N": 2, "O": 2, "P": 1}
[C-]#CCNC(=O)Cc1c(C)[nH]c2ccc(OC)cc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
9 meas.
3D
#8415
Au(3)
donors: {"N": 2, "Cl": 3}
CCC(C)c1ccc2ccc3c(C)cc(C(C)CC)nc3c2n1.[Cl-].[Cl-].[Cl-]
1 meas.
3D
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20/189 (9414 total)