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complexes
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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#1464
Ru(2)
donors: {"O": 1, "N": 4}
COc1ccc2cc([C@@H](C)C(=O)[O-])ccc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#1463
Ru(2)
donors: {"O": 1, "N": 4}
COc1ccc2cc([C@@H](C)C(=O)[O-])ccc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#1462
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(/N=N/c2ccccn2)cc1
6 meas.
MOL
3D
#1461
Ru(2)
donors: {"N": 3}
Cc1c(C)c(C)c(C)c(C)c1C.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=N/c2ccccc2)cc1.[Cl-]
1 meas.
MOL
3D
#1460
Ru(2)
donors: {"N": 3}
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=N/c2ccccc2)cc1.[Cl-].c1ccccc1
1 meas.
MOL
3D
#1459
Ru(2)
donors: {"N": 3}
CS(=O)(=O)[N-]c1ccccc1/N=N/c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1458
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=N/c2c(F)cccc2F)cc1.[Cl-]
4 meas.
MOL
3D
#1457
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=N/c2ccccc2)cc1.[Cl-]
4 meas.
MOL
3D
#1456
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=N/c2ccc(F)cc2)cc1.[Cl-]
4 meas.
MOL
3D
#1455
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=N/c2ccc(Br)cc2)cc1.[Cl-]
1 meas.
MOL
3D
#1454
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=N/c2cccc(Br)c2)cc1.[Cl-]
1 meas.
MOL
3D
#1453
Ru(2)
donors: {"N": 3}
COc1ccc(/N=N/c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1452
Ru(2)
donors: {"N": 3}
COc1ccccc1/N=N/c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1451
Ru(2)
donors: {"S": 1, "O": 2, "N": 1}
CS(C)=O.Cc1ccc(C(C)C)cc1.O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Cl-]
1 meas.
MOL
3D
#1450
Ru(2)
donors: {"N": 8}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
2 meas.
MOL
3D
#1449
Ru(2)
donors: {"O": 2, "N": 2, "P": 2}
[C-]#[O+].[Cl-].[O-]/C(=N\N=C\c1ccc(O)cc1)c1ccco1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1448
Ru(2)
donors: {"O": 2, "N": 2, "P": 2}
[C-]#[O+].[Cl-].[O-]/C(=N\N=C\c1ccccc1Br)c1ccco1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1447
Ru(2)
donors: {"O": 3, "N": 2, "P": 2}
O=[N+]([O-])c1ccccc1/C=N/N=C(\[O-])c1ccco1.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1446
Ru(2)
donors: {"N": 8}
O=C(O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#1445
Ru(3)
donors: {"N": 8}
O.[Cl-].[Cl-].[Cl-].c1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1.c1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1
3 meas.
MOL
3D
#1444
Ru(3)
donors: {"N": 6}
[Cl-].[Cl-].[Cl-].c1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1.c1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1.c1ccc(-c2cc(-c3ccccc3)n3ncnc3n...
3 meas.
MOL
3D
#1443
Ru(3)
donors: {"N": 8}
Cc1cc(CC(C)C)n2ncnc2n1.Cc1cc(CC(C)C)n2ncnc2n1.O.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#1442
Ru(3)
donors: {"N": 6}
Cc1cc(CC(C)C)n2ncnc2n1.Cc1cc(CC(C)C)n2ncnc2n1.Cc1cc(CC(C)C)n2ncnc2n1.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#1441
Ru(3)
donors: {"N": 8}
CCc1cc(CC)n2ncnc2n1.CCc1cc(CC)n2ncnc2n1.O.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#1440
Ru(3)
donors: {"N": 6}
CCc1cc(CC)n2ncnc2n1.CCc1cc(CC)n2ncnc2n1.CCc1cc(CC)n2ncnc2n1.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#1439
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccncc1
8 meas.
MOL
3D
#1438
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(CNc2ccccn2)cc1
1 meas.
MOL
3D
#1437
Ru(2)
donors: {"N": 2}
CNc1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#1436
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Nc1ccccn1.[Cl-].[Cl-]
1 meas.
MOL
3D
#1435
Ru(2)
donors: {"N": 6}
C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3cccnc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Cl-].c1cnc2c(c1)ccc1cccnc12....
8 meas.
MOL
3D
#1434
Ru(2)
donors: {"N": 6}
C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3cccnc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Cl-].c1ccc(-c2ccccn2)nc1.c1c...
8 meas.
MOL
3D
#1433
Ru(2)
donors: {"N": 6}
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#1432
Ru(2)
donors: {"N": 6}
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#1431
Ru(2)
donors: {"N": 8}
O=C1c2cccc(O)c2C(=O)c2c(O)cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
2 meas.
MOL
3D
#1430
Ru(2)
donors: {"N": 8}
O=C1c2cccc(O)c2C(=O)c2c(O)cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#1429
Ru(2)
donors: {"S": 1, "O": 1, "N": 3}
CS(C)=O.[Cl-].[Cl-].c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)cc(-c3ccccn3)n2)nc1
5 meas.
MOL
3D
#1428
Ru(2)
donors: {"S": 1, "O": 1, "N": 3}
CS(C)=O.[Cl-].[Cl-].c1ccc(-c2cc(-c3cccc4ccccc34)cc(-c3ccccn3)n2)nc1
5 meas.
MOL
3D
#1427
Ru(2)
donors: {"N": 3, "S": 1, "O": 1}
COc1cccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.CS(C)=O.[Cl-].[Cl-]
5 meas.
MOL
3D
#1426
Ru(2)
donors: {"N": 3, "S": 1, "O": 1}
COc1ccccc1-c1cc(-c2ccccn2)nc(-c2ccccn2)c1.CS(C)=O.[Cl-].[Cl-]
5 meas.
MOL
3D
#1425
Ru(2)
donors: {"N": 3, "S": 1, "O": 1}
COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CS(C)=O.[Cl-].[Cl-]
5 meas.
MOL
3D
#1424
Ru(2)
donors: {"N": 4, "S": 1, "O": 1}
CCN(CC)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.CS(C)=O.[Cl-].[Cl-]
5 meas.
MOL
3D
#1423
Ru(2)
donors: {"N": 8}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.c1ccc(-c2nccnc2-c2ccccn2)nc1
1 meas.
MOL
3D
#1422
Ru(2)
donors: {"N": 8}
c1ccc(Oc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#1421
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(Oc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1
5 meas.
MOL
3D
#1420
Ru(2)
donors: {"N": 8}
Fc1cc2ccccc2cc1Oc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#1419
Ru(2)
donors: {"N": 8}
Fc1cc2ccccc2cc1Oc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#1418
Ru(2)
donors: {"N": 6}
CCN(CC)c1ccc2cc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc3)c(=O)oc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#1417
Ru(2)
donors: {"N": 6}
CCN(CC)c1ccc2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c(=O)oc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#1416
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.c1ccc(-c2nc3ccc4nc5c6cccnc6c6ncccc6c5nc4c3nc2-c2ccccc2)cc1
4 meas.
MOL
3D
#1415
Ru(2)
donors: {"N": 6}
c1ccc(-c2nc3ccc4nc5c6cccnc6c6ncccc6c5nc4c3nc2-c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
4 meas.
MOL
3D
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160/189 (9414 total)