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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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#8214
Au(3)
donors: {"F": 10, "N": 2}
Fc1[c-]c(F)c(F)c(F)c1F.Fc1[c-]c(F)c(F)c(F)c1F.NCc1ccccn1
2 meas.
3D
#8213
Au(3)
donors: {"N": 2, "S": 2, "O": 2}
CCCCN(CCCC)C(=S)[S-].[c-]1ccccc1-c1nccc2cc3c(cc12)OCO3
5 meas.
3D
#8212
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
#8211
Au(3)
donors: {"O": 7, "N": 3, "S": 2}
O=C(NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1CCN(C(=S)[S-])CC1.[c-]1ccccc1Cc1ccccn1
4 meas.
3D
#8210
Au(1)
donors: {"N": 5, "O": 1, "Br": 1}
C=C[C@H]1C[N@@]2CC[C@H]1C[C@@H]2C[n+]1[c-]n(-c2ccc(-c3nc(C(C)(C)C)no3)cc2)cc1.[Br-]
12 meas.
3D
#8209
Au(1)
donors: {"O": 4, "N": 2, "Cl": 1}
COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)n(C)[c-][n+]2C)cc1.[Cl-]
5 meas.
3D
#8208
Au(1)
donors: {"N": 2, "Br": 1, "O": 1, "Cl": 1}
CCn1[c-][n+](CC)c(-c2ccc(Br)cc2)c1-c1ccc(OC)cc1.[Cl-]
2 meas.
3D
#8207
Au(1)
donors: {"N": 6, "P": 1, "O": 2, "F": 1, "Cl": 1}
C1N2CN3CN1CP(C2)C3.[C-]#CCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
3 meas.
3D
#8206
Au(1)
donors: {"O": 1, "N": 3, "P": 1}
CC(C)Oc1ncnc2cc[n-]c12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
10 meas.
3D
#8205
Au(1)
donors: {"N": 3, "Cl": 1}
CCCCCCCCC[n+]1[c-]n(-c2ccccn2)cc1.[Cl-]
1 meas.
3D
#8204
Au(1)
donors: {"O": 9, "N": 3, "F": 3, "Cl": 2}
CC(=O)OC[C@H]1O[C@@H](n2[c-][n+](CCc3ncc(C(F)(F)F)cc3Cl)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.[Cl-]
13 meas.
3D
#8203
Au(1)
donors: {"N": 5, "S": 1, "O": 2, "P": 1}
N#C[S-].O=[N+]([O-])c1ccc(C[N+]23CN4CN(CP(C4)C2)C3)cc1
2 meas.
3D
#8202
Au(1)
donors: {"N": 2, "F": 3}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#Cc1ccc(F)cc1
1 meas.
3D
#8201
Au(1)
donors: {"F": 3, "P": 2, "Br": 1}
Fc1ccc([P+](Cc2ccccc2P(c2ccccc2)c2ccccc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.[Br-]
3 meas.
3D
#8200
Ir(3)
donors: {"N": 6, "O": 1}
Cc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
7 meas.
3D
#8199
Au(1)
donors: {"N": 3, "O": 2, "Br": 1}
Cc1c(C)c(C)c(C[n+]2[c-]n(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)c(C)c1C.[Br-]
2 meas.
3D
#8198
Au(1)
donors: {"F": 12, "N": 4, "S": 2, "P": 2}
FC(F)(F)c1cc(NC(=S)NCCP(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(NC(=S)NCCP(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1
3 meas.
3D
#8197
Ir(3)
donors: {"N": 5}
[c-]1cc(N2CCCC2)cc[n+]1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
9 meas.
3D
#8196
Au(3)
donors: {"O": 10, "N": 7}
C#CCOCCOCCOCCOCCOCCOCCNC(=O)C(Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)CCCNC(=O)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([n-]4)c(-c4[c-]ccc...
15 meas.
3D
#8195
Au(1)
donors: {"N": 1, "S": 1, "O": 1, "P": 1}
CC(C)(C)C1=CC(=CNc2ccccc2[S-])C=C(C(C)(C)C)C1=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8194
Au(1)
donors: {"F": 30, "N": 6}
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(-c2ccccn2)cc1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)...
1 meas.
3D
#8193
Au(1)
donors: {"N": 2, "O": 2, "P": 1}
[C-]#CC(C)(C)NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
9 meas.
3D
#8192
Au(1)
donors: {"P": 4, "N": 8}
c1ccc(P(CCP(c2ccccn2)c2ccccn2)c2ccccn2)nc1.c1ccc(P(CCP(c2ccccn2)c2ccccn2)c2ccccn2)nc1
4 meas.
3D
#8191
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.[c-]1n(C23CC4CC(CC(C4)C2)C3)cc[n+]1C12CC3CC(C...
3 meas.
3D
#8190
Ir(3)
donors: {"O": 1, "Br": 1, "N": 4, "P": 1}
C/C(=C/C(=O)c1ccc(Br)cc1)[N-]c1ccccc1.C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)[c-](C)c1C
4 meas.
3D
#8189
Au(1)
donors: {"N": 4}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.c1cnc2c(c1)ccc1cccnc12
1 meas.
3D
#8188
Au(1)
donors: {"O": 5, "N": 2, "S": 1, "P": 1}
COC(=O)[C@@H](NC(=O)[C@H](C[S-])NC(=O)OC(C)(C)C)C(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
3 meas.
3D
#8187
Au(1)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.[C-]#CC1(O)CCCCC1
2 meas.
3D
#8186
Au(3)
donors: {"O": 2, "N": 2}
[OH-].[OH-].c1ccc(-c2ccccn2)nc1
5 meas.
3D
#8185
Au(1)
donors: {"S": 2, "N": 1}
S=C([S-])N(Cc1ccccc1)Cc1ccccc1
3 meas.
3D
#8184
Au(1)
donors: {"N": 2, "P": 1, "Cl": 1}
CC(C)c1nc(P(c2ccccc2)c2ccccc2)c[nH]1.[Cl-]
8 meas.
3D
#8183
Au(3)
donors: {"O": 6, "S": 8, "N": 2}
COCCOCCOCCSc1nc([S-])c([S-])s1.COCCOCCOCCSc1nc([S-])c([S-])s1
1 meas.
3D
#8182
Au(3)
donors: {"O": 4, "N": 2, "Cl": 2}
CC(C)COC(=O)[C@H](CC1CCCCC1)NCCN[C@@H](CC1CCCCC1)C(=O)OCC(C)C.[Cl-].[Cl-]
3 meas.
3D
#8181
Au(3)
donors: {"O": 2, "N": 2, "F": 2}
[O-]c1ccccc1C=N[C@H](c1ccc(F)cc1)[C@@H](N=Cc1ccccc1[O-])c1ccc(F)cc1
3 meas.
3D
#8180
Au(3)
donors: {"N": 3, "O": 1, "S": 2}
NC(=O)C1CCN(C(=S)[S-])CC1.[c-]1ccccc1Cc1ccccn1
4 meas.
3D
#8179
Au(1)
donors: {"N": 2, "S": 2, "O": 2, "Cl": 1}
CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1S(=O)(=O)c1ccc(Cl)cc1.[S-]c1ccccc1
4 meas.
3D
#8178
Au(3)
donors: {"O": 4, "N": 2, "Cl": 2}
O=C(O)c1cccnc1-c1ncccc1C(=O)O.[Cl-].[Cl-]
4 meas.
3D
#8177
Au(3)
donors: {"O": 2, "N": 1, "S": 2, "Cl": 2}
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=S)[S-].[Cl-].[Cl-]
2 meas.
3D
#8176
Au(1)
donors: {"S": 2, "N": 6}
CSc1ccc(-n2[c-][n+](-c3ccc4ccccc4n3)cc2)cc1.CSc1ccc(-n2[c-][n+](-c3ccc4ccccc4n3)cc2)cc1
5 meas.
3D
#8175
Au(1)
donors: {"N": 8}
[C-](NC1CCCCC1)=[N+](Cc1ccccn1)Cc1ccccn1.[C-](NC1CCCCC1)=[N+](Cc1ccccn1)Cc1ccccn1
4 meas.
3D
#8174
Au(3)
donors: {"O": 6, "N": 5, "S": 2, "Cl": 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-].[Cl-].[Cl-]
4 meas.
3D
#8173
Au(1)
donors: {"N": 2, "P": 1}
CCn1[c-][n+](CC)c(-c2ccccc2)c1-c1c2ccccc2cc2ccccc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1
6 meas.
3D
#8172
Au(3)
donors: {"N": 2, "S": 6, "O": 2}
CCn1c([S-])c([S-])sc1=O.CCn1c([S-])c([S-])sc1=O
3 meas.
3D
#8171
Au(1)
donors: {"S": 1, "O": 2, "N": 3, "Cl": 1}
CCSc1ccc2c3c(cccc13)C(=O)N(CCCn1[c-][n+](C)cc1)C2=O.[Cl-]
2 meas.
3D
#8170
Au(1)
donors: {"O": 2, "N": 2, "F": 1, "Cl": 1}
COc1ccc(-c2c3ccccc(N/[C-]=[N+](\C)c4ccccc4)c-3c(-c3ccc(OC)cc3)c2-c2ccccc2F)cc1.[Cl-]
4 meas.
3D
#8169
Au(3)
donors: {"N": 8}
Cc1c(/N=C\c2ccccc2)/c(=N/CC/N=c2/c(/N=C\c3ccccc3)c(C)n(C)n2-c2ccccc2)n(-c2ccccc2)n1C
2 meas.
3D
#8168
Au(3)
donors: {"O": 2, "N": 2, "Cl": 3}
CCOC(=O)c1ccc2c(c1)[n+](CC)[c-]n2CC.[Cl-].[Cl-].[Cl-]
3 meas.
3D
#8167
Au(3)
donors: {"N": 6, "S": 2}
CCN(CC)C(=S)N=C([N-]N=C([S-])N(C)c1ccccc1)c1ccccc1.C[NH+](C)Cc1[c-]cccc1
1 meas.
3D
#8166
Au(1)
donors: {"N": 4}
CCCCn1[c-][n+](CCCC)cc1.CCCCn1[c-][n+](CCCC)cc1
1 meas.
3D
#8165
Au(1)
donors: {"N": 3, "O": 2, "Cl": 1}
C[n+]1[c-]n(CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1.[Cl-]
2 meas.
3D
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25/189 (9414 total)