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D-MPNN
Coordination Complexes
7058 complexes in database
7058
Total
4834
Ru
1295
Ir
339
Rh
337
Os
253
Re
Metal
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Ir
Os
Re
Rh
Ru
Ox. State
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#1358
Ru(2)
donors: {"N": 6}
c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#1357
Ru(2)
donors: {"N": 6}
Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#1356
Ru(2)
donors: {"N": 7}
C(=N/n1c(-c2ccccn2)nnc1-c1ccccn1)\c1c[nH]c2ccccc12.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1355
Ru(2)
donors: {"N": 7}
C(=N/n1c(-c2ccccn2)nnc1-c1ccccn1)\c1c[nH]c2ccccc12.[Cl-].c1ccccc1
4 meas.
MOL
3D
#1354
Ru(2)
donors: {"N": 6}
Cc1ccc(/C=N/n2c(-c3ccccn3)nnc2-c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1353
Ru(2)
donors: {"N": 6}
COc1ccccc1/C=N/n1c(-c2ccccn2)nnc1-c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1352
Ru(2)
donors: {"N": 6}
COc1ccccc1/C=N/n1c(-c2ccccn2)nnc1-c1ccccn1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#1351
Ru(2)
donors: {"N": 6}
C(=N/n1c(-c2ccccn2)nnc1-c1ccccn1)\c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1350
Ru(2)
donors: {"N": 6}
C(=N/n1c(-c2ccccn2)nnc1-c1ccccn1)\c1ccccc1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#1349
Ru(2)
donors: {"N": 6}
CCCCCOc1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc5c(CO)cc(=O)oc5c4)cn3)nc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#1348
Ru(2)
donors: {"N": 7}
CCCCCOc1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc5c(COC(=O)CCCc6ccc(N(CCCl)CCCl)cc6)cc(=O)oc5c4)cn3)nc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc...
2 meas.
MOL
3D
#1347
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.c1cc2c3c(cccc3c1)-c1nc3c(ccc4nc5c6cccnc6c6ncccc6c5nc43)nc1-2
4 meas.
MOL
3D
#1346
Ru(2)
donors: {"N": 6}
c1cc2c3c(cccc3c1)-c1nc3c(ccc4nc5c6cccnc6c6ncccc6c5nc43)nc1-2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#1345
Ru(2)
donors: {"N": 6}
c1cc2c3c(cccc3c1)-c1nc3c(ccc4nc5c6cccnc6c6ncccc6c5nc43)nc1-2.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
4 meas.
MOL
3D
#1344
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.c1cc2c3c(cccc3c1)-c1nc3c(ccc4nc5c6cccnc6c6ncccc6c5nc43)nc1-2
4 meas.
MOL
3D
#1343
Ru(2)
donors: {"N": 1}
CC(C)(C)c1ccncc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#1342
Ru(3)
donors: {"N": 6}
CS(=O)CCCCCCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CS(=O)CCCCCCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1....
1 meas.
MOL
3D
#1341
Ru(3)
donors: {"N": 6}
CS(=O)CCCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CS(=O)CCCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-]
1 meas.
MOL
3D
#1340
Ru(3)
donors: {"N": 6}
CS(=O)CCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CS(=O)CCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-]
1 meas.
MOL
3D
#1339
Ru(3)
donors: {"N": 6}
CS(=O)CCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CS(=O)CCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-]
1 meas.
MOL
3D
#1338
Ru(2)
donors: {"N": 6}
CC(=O)SCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CC(=O)SCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
1 meas.
MOL
3D
#1337
Ru(2)
donors: {"S": 2, "O": 4}
CS(C)=O.CS(C)=O.O=c1c([O-])c(-c2ccc(Cl)cc2)oc2ccccc12.O=c1c([O-])c(-c2ccc(Cl)cc2)oc2ccccc12
1 meas.
MOL
3D
#1336
Ru(2)
donors: {"N": 2, "O": 4, "S": 2}
CN(C)c1ccc(-c2oc3ccccc3c(=O)c2[O-])cc1.CN(C)c1ccc(-c2oc3ccccc3c(=O)c2[O-])cc1.CS(C)=O.CS(C)=O
1 meas.
MOL
3D
#1335
Ru(2)
donors: {"S": 2, "O": 6}
CS(C)=O.CS(C)=O.O=c1c([O-])c(-c2ccc([N+](=O)[O-])cc2)oc2ccccc12.O=c1c([O-])c(-c2ccc([N+](=O)[O-])cc2)oc2ccccc12
1 meas.
MOL
3D
#1334
Ru(2)
donors: {"O": 4, "S": 2}
COc1ccc(-c2oc3ccccc3c(=O)c2[O-])cc1.COc1ccc(-c2oc3ccccc3c(=O)c2[O-])cc1.CS(C)=O.CS(C)=O
1 meas.
MOL
3D
#1333
Ru(2)
donors: {"O": 1, "N": 5}
COc1cc([N+](=O)[O-])cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#1332
Ru(2)
donors: {"O": 1, "N": 5}
COc1cc([N+](=O)[O-])cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#1331
Ru(2)
donors: {"O": 1, "N": 5}
COc1cc([N+](=O)[O-])cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1
6 meas.
MOL
3D
#1330
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)C1c1ccncc1.[Cl-].[Cl-]
10 meas.
MOL
3D
#1329
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)C1c1cccnc1.[Cl-].[Cl-]
10 meas.
MOL
3D
#1328
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1ccncc1.[Cl-].[Cl-]
10 meas.
MOL
3D
#1327
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cccnc1.[Cl-].[Cl-]
13 meas.
MOL
3D
#1326
Ru(2)
donors: {"N": 2, "P": 1}
CCN1CCN(CP(c2ccccc2)c2ccccc2)CC1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#1325
Ru(2)
donors: {"P": 1, "N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(P(CN2CCOCC2)c2ccccc2)cc1
2 meas.
MOL
3D
#1324
Ru(2)
donors: {"N": 6, "P": 1}
CCN1CCN(CP(CN2CCN(CC)CC2)CN2CCN(CC)CC2)CC1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#1323
Ru(2)
donors: {"N": 3, "P": 1}
C1CN(CP(CN2CCOCC2)CN2CCOCC2)CCO1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#1322
Ru(2)
donors: {"N": 2, "P": 2}
COC(=O)C(C)NC(=O)c1cccc(P(c2ccccc2)c2ccccc2)c1.COC(=O)C(C)NC(=O)c1cccc(P(c2ccccc2)c2ccccc2)c1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1321
Ru(2)
donors: {"N": 2, "P": 2}
COC(=O)CNC(=O)c1cccc(P(c2ccccc2)c2ccccc2)c1.COC(=O)CNC(=O)c1cccc(P(c2ccccc2)c2ccccc2)c1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#1320
Ru(2)
donors: {"N": 2, "P": 2}
COC(=O)C(C)NC(=O)c1ccc(P(c2ccccc2)c2ccccc2)cc1.COC(=O)C(C)NC(=O)c1ccc(P(c2ccccc2)c2ccccc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1319
Ru(2)
donors: {"N": 2, "P": 2}
COC(=O)CNC(=O)c1ccc(P(c2ccccc2)c2ccccc2)cc1.COC(=O)CNC(=O)c1ccc(P(c2ccccc2)c2ccccc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1318
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
17 meas.
MOL
3D
#1317
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(CCC#Cc3ccc(/C=N/NC(N)=O)nc3)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4cc...
6 meas.
MOL
3D
#1316
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(CCC#Cc3ccc(/C=N/NC(N)=O)nc3)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#1315
Ru(2)
donors: {"N": 2}
COC(=O)C(C)([N-]c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.Cc1ccc(C(C)C)cc1
5 meas.
MOL
3D
#1314
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C
1 meas.
MOL
3D
#1313
Ru(2)
donors: {"N": 6}
Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#1312
Ru(2)
donors: {"N": 6}
c1cnc2c(c1)c1nc3cc4nc5c6cccnc6c6ncccc6c5nc4cc3nc1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
#1311
Ru(2)
donors: {"N": 8}
c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
14 meas.
MOL
3D
#1310
Ru(2)
donors: {"N": 6}
c1cnc2c(c1)c1nc3c4cccnc4c4ncccc4c3nc1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
7 meas.
MOL
3D
#1309
Ru(2)
donors: {"N": 6}
Cc1ccnc2c1ccc1c(C)ccnc12.Cc1ccnc2c1ccc1c(C)ccnc12.Cc1ccnc2c1ccc1c(C)ccnc12
4 meas.
MOL
3D
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115/142 (7058 total)