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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
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Re
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Ru
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#4264
Ru(2)
donors: {"N": 3}
CC[Si](CC)(CC)CCCCN(CCCN)CCCN.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#4263
Ru(2)
donors: {"N": 5, "S": 1}
CN(C)CCN1C(=O)C2=CC=CC3=C(N4CCN(C(=S)[S-])CC4)C=CC(C1=O)C23.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2c...
6 meas.
MOL
3D
#4262
Ru(2)
donors: {"N": 5, "S": 1}
CN(C)CCN1C(=O)C2=CC=CC3=C(N4CCN(C(=S)[S-])CC4)C=CC(C1=O)C23.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#4261
Ru(2)
donors: {"N": 5, "S": 1}
CN(C)CCN1C(=O)C2=CC=CC3=C(N4CCN(C(=S)[S-])CC4)C=CC(C1=O)C23.Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1
6 meas.
MOL
3D
#4260
Ru(2)
donors: {"N": 5, "S": 1}
CN(C)CCN1C(=O)C2=CC=CC3=C(N4CCN(C(=S)[S-])CC4)C=CC(C1=O)C23.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
6 meas.
MOL
3D
#4259
Ru(2)
donors: {"N": 7, "O": 1}
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCNCC3)cc21.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
7 meas.
MOL
3D
#4258
Ru(2)
donors: {"N": 7, "O": 1}
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCNCC3)cc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
7 meas.
MOL
3D
#4257
Ru(2)
donors: {"N": 7, "O": 1}
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCNCC3)cc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
7 meas.
MOL
3D
#4256
Ru(2)
donors: {"N": 1}
CC(=O)OC(Cn1[c-][n+](Cc2ccccc2)c2ccccc21)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4255
Ru(2)
donors: {"N": 1}
CC(=O)OC(Cn1[c-][n+](C)c2ccccc21)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4254
Ru(2)
donors: {"N": 1}
CC(=O)OC(Cn1[c-][n+](Cc2ccccc2)c(Cl)c1Cl)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4253
Ru(2)
donors: {"N": 1}
CC(=O)OC(Cn1[c-][n+](C)c(Cl)c1Cl)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4252
Ru(2)
donors: {"N": 1}
CC(=O)OC(Cn1[c-][n+](Cc2ccccc2)cc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4251
Ru(2)
donors: {"N": 1}
CC(=O)OC(Cn1[c-][n+](C)cc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#4250
Ru(2)
donors: {"N": 1}
CCCOC(=O)Nc1ccccc1.Cc1c(C)c(C)[c-](C)c1C
4 meas.
MOL
3D
#4249
Ru(2)
donors: {"N": 1}
CCOC(=O)Nc1ccccc1.Cc1c(C)c(C)[c-](C)c1C
4 meas.
MOL
3D
#4248
Ru(2)
donors: {"N": 1}
COC(=O)Nc1ccccc1.Cc1c(C)c(C)[c-](C)c1C
4 meas.
MOL
3D
#4247
Ru(2)
donors: {"N": 3}
COC(=O)c1cc(/N=C/c2ncc[nH]2)ccc1O.Cc1ccc(C(C)C)cc1.[I-]
4 meas.
MOL
3D
#4246
Ru(2)
donors: {"N": 3}
COC(=O)c1cc(/N=C/c2ncc[nH]2)ccc1O.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#4245
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(O)c1cc(/N=C/c2ncc[nH]2)ccc1O.[Cl-]
4 meas.
MOL
3D
#4244
Ru(2)
donors: {"N": 2}
COC(=O)c1cc(/N=C/c2ccccn2)ccc1O.Cc1ccc(C(C)C)cc1.[I-]
4 meas.
MOL
3D
#4243
Ru(2)
donors: {"N": 2}
COC(=O)c1cc(/N=C/c2ccccn2)ccc1O.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#4242
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C(O)c1cc(/N=C/c2ccccn2)ccc1O.[Cl-]
4 meas.
MOL
3D
#4241
Ru(3)
donors: {"S": 1, "O": 1, "N": 3}
CS(C)=O.O=C1c2cccc3cccc(c23)C(=O)N1c1cc2cccnc2c2ncccc12.[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#4240
Ru(3)
donors: {"S": 2, "O": 1}
CS(C)=O.CSC([S-])=[N+](C)C.[Cl-].[Cl-].[Cl-]
5 meas.
MOL
3D
#4239
Ru(3)
donors: {"S": 2, "O": 1}
CS(C)=O.CSC([S-])=[N+]1CCCC1.[Cl-].[Cl-].[Cl-]
5 meas.
MOL
3D
#4238
Ru(3)
donors: {"N": 4, "O": 1, "P": 1}
NC1N=C(S)N=C(O)C1/N=C/c1c([O-])ccc2ccccc12.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#4237
Ru(3)
donors: {"O": 2, "N": 4, "P": 1}
COc1cc([N+](=O)[O-])cc(/C=N/C2C(O)=NC(S)=NC2N)c1[O-].[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#4236
Ru(3)
donors: {"N": 4, "O": 1, "P": 1}
NC1N=C(S)N=C(O)C1/N=C/c1c([O-])cccc1Br.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#4235
Ru(3)
donors: {"N": 4, "O": 1, "P": 1}
NC1N=C(S)N=C(O)C1/N=C/c1ccccc1[O-].[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#4234
Ru(3)
donors: {"N": 6}
O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccn1.[Cl-].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1
1 meas.
MOL
3D
#4233
Ru(3)
donors: {"N": 6}
COc1ccc(/C=C/C(=O)c2ccccn2)cc1.[Cl-].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1
1 meas.
MOL
3D
#4232
Ru(3)
donors: {"N": 6}
O=C(/C=C/c1ccc(Cl)cc1)c1ccccn1.[Cl-].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1
1 meas.
MOL
3D
#4231
Ru(3)
donors: {"N": 7}
CN(C)c1ccc(/C=C/C(=O)c2ccccn2)cc1.[Cl-].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1
1 meas.
MOL
3D
#4230
Ru(3)
donors: {"O": 1, "N": 6}
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccn1.[Cl-].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1
1 meas.
MOL
3D
#4229
Ru(2)
donors: {"N": 3, "P": 2}
CCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)n(Cc3ccc(C#N)cc3)c2=O)CC1OC(=O)CCCCCCC.c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2...
1 meas.
MOL
3D
#4228
Ru(2)
donors: {"N": 3, "P": 2}
Cc1cn(C2C=CC(CO)O2)c(=O)n(Cc2ccc(C#N)cc2)c1=O.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#4227
Ru(2)
donors: {"N": 3, "P": 2}
N#Cc1ccc(Cn2c(=O)c(F)cn(C3OC(CO)C(O)C3O)c2=O)cc1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#4226
Ru(2)
donors: {"N": 3, "P": 2}
N#Cc1ccc(Cn2c(=O)c(F)cn(C3OC(CO)C(O)C3O)c2=O)cc1.c1cc[cH-]c1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#4225
Ru(2)
donors: {"N": 3, "P": 2}
N#Cc1ccc(Cn2c(=O)c(I)cn(C3CC(O)C(CO)O3)c2=O)cc1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#4224
Ru(2)
donors: {"N": 5, "P": 2}
Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(Cc2ccc(C#N)cc2)c1=O.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2c...
1 meas.
MOL
3D
#4223
Ru(2)
donors: {"N": 3, "P": 2}
Cc1cn(C2CC(O)C(CO)O2)c(=O)n(Cc2ccc(C#N)cc2)c1=O.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#4222
Ru(2)
donors: {"N": 4, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.[O-]n1c(=S)ccc2ccccc21
8 meas.
MOL
3D
#4221
Ru(2)
donors: {"O": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]n1c(=S)ccc2ccccc21
10 meas.
MOL
3D
#4220
Ru(2)
donors: {"N": 6}
O=Cc1c[c-]c(-n2cccn2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#4219
Ru(2)
donors: {"N": 5}
O=Cc1c[c-]c(-c2ccccn2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#4218
Ru(2)
donors: {"N": 6}
CCCCn1c(-c2[c-]cccc2)nc2cc(C(=O)OC)ccc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#4217
Ru(2)
donors: {"N": 6}
CCCCn1c(-c2[c-]cccc2)nc2cc(C(=O)OC)ccc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4216
Ru(2)
donors: {"N": 2}
CC(C)c1cc(C(C)C)cc(C(C)C)c1.CC(C)c1ccc(/N=C/c2ccc3ccccc3n2)cc1.[Cl-]
7 meas.
MOL
3D
#4215
Ru(2)
donors: {"N": 3}
CC(C)c1cc(C(C)C)cc(C(C)C)c1.CN(C)c1ccc(/N=C/c2ccc3ccccc3n2)cc1.[Cl-]
7 meas.
MOL
3D
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104/189 (9414 total)