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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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Os
Re
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Ox. State
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#1558
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.NCCN.[Cl-]
24 meas.
MOL
3D
#1557
Ru(2)
donors: {"N": 6}
O=C(O)CCCCCNC(=O)c1ccnc(-c2ccccn2)n1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
6 meas.
MOL
3D
#1556
Ru(2)
donors: {"N": 6}
O=C(O)c1ccnc(-c2ccccn2)n1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
8 meas.
MOL
3D
#1555
Ru(2)
donors: {"N": 8}
O=C(O)CCCCCNC(=O)c1ccnc(-c2ccccn2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#1554
Ru(2)
donors: {"N": 7}
O=C(O)c1ccnc(-c2ccccn2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#1553
Ru(2)
donors: {"N": 8}
Cc1ccc2c3nccnc3c3ccc(C)nc3c2n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#1552
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)ccc1cccnc12
15 meas.
MOL
3D
#1551
Ru(2)
donors: {"N": 2}
CCOC1(c2ccccc2)Oc2ccccc2C(=O)C1=N.CCOC1(c2ccccc2)Oc2ccccc2C(=O)C1=N.[Cl-].[Cl-]
9 meas.
MOL
3D
#1550
Ru(2)
donors: {"N": 2}
COC1(c2ccccc2)Oc2ccccc2C(=O)C1=N.COC1(c2ccccc2)Oc2ccccc2C(=O)C1=N.[Cl-].[Cl-]
9 meas.
MOL
3D
#1549
Ru(2)
donors: {"N": 2}
O=C1/C(=N/O)C(c2ccccc2)Oc2ccccc21.O=Nc1c(-c2ccccc2)oc2ccccc2c1=O.[Cl-].[Cl-]
5 meas.
MOL
3D
#1548
Ru(2)
donors: {"N": 6}
CCCCCCCCCCN.CCCCCCCCCCN.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1
2 meas.
MOL
3D
#1547
Ru(2)
donors: {"N": 5}
CCCCCCCCCCN.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.[Cl-]
2 meas.
MOL
3D
#1546
Ru(2)
donors: {"S": 2, "N": 1, "O": 2}
C=CCS/C([S-])=N/N=C/c1ccc2ccccc2c1.CS(C)=O.CS(C)=O.CS(C)=O.[Cl-]
2 meas.
MOL
3D
#1545
Ru(2)
donors: {"S": 2, "N": 1, "O": 2}
C=CCS/C([S-])=N/N=C/c1ccc(OC)cc1.CS(C)=O.CS(C)=O.CS(C)=O.[Cl-]
2 meas.
MOL
3D
#1544
Ru(2)
donors: {"N": 8}
CN(C)c1ccc(-c2oc3ccccc3/c(=N/NC(N)=S)c2O)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#1543
Ru(2)
donors: {"N": 7}
NC(=S)N/N=c1\c(O)c(-c2ccc(Cl)cc2)oc2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#1542
Ru(2)
donors: {"N": 7}
NC(=S)N/N=c1\c(O)c(-c2ccc(Cl)cc2)oc2ccccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#1541
Ru(2)
donors: {"N": 7}
COc1ccc(-c2oc3ccccc3/c(=N/NC(N)=S)c2O)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#1540
Ru(2)
donors: {"N": 6}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.c1cnc2c(c1)c1nc3ccc(-c4ccc5nc6c(nc5c4)CCCC6)...
5 meas.
MOL
3D
#1539
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2nc3cc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)ccc3nc2c1
5 meas.
MOL
3D
#1538
Ru(2)
donors: {"N": 6}
N#Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
2 meas.
MOL
3D
#1537
Ru(2)
donors: {"N": 6}
N#Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
11 meas.
MOL
3D
#1536
Ru(2)
donors: {"N": 6}
N#Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
11 meas.
MOL
3D
#1535
Ru(2)
donors: {"N": 5, "O": 1}
O=C(O)c1ccnc(C(=O)[O-])c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#1534
Ru(2)
donors: {"N": 6}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.O=C1c2cccc3cccc(c23)C(=O)N1c1cccc(-c2nc3c4cc...
9 meas.
MOL
3D
#1533
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C1c2cccc3cccc(c23)C(=O)N1c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
9 meas.
MOL
3D
#1532
Ru(2)
donors: {"N": 4}
CN(C)c1ccc(/C=N/NC(N)=S)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#1531
Ru(2)
donors: {"N": 8}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(O)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#1530
Ru(2)
donors: {"N": 8}
Oc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#1529
Ru(2)
donors: {"N": 5, "O": 1}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.O=[N+]([O-])c1cc2c(cc1-c1nc3c4cccnc4c4ncccc4c3[nH]1)OCO2
8 meas.
MOL
3D
#1528
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.O=C1c2ccccc2-c2nc3cc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)ccc3nc21
5 meas.
MOL
3D
#1527
Ru(2)
donors: {"N": 6}
O=C1c2ccccc2-c2nc3cc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)ccc3nc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#1526
Ru(2)
donors: {"N": 6}
O=C1c2ccccc2-c2nc3cc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)ccc3nc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#1525
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C1c2ccccc2-c2nc3cc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)ccc3nc21
5 meas.
MOL
3D
#1524
Ru(2)
donors: {"N": 2, "O": 1, "As": 2}
CCN(CC)C(N)=S.[C-]#[O+].[Cl-].[Cl-].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
3 meas.
MOL
3D
#1523
Ru(2)
donors: {"N": 4}
[Cl-].c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c3ccccc3cc2c1.c1ccccc1
4 meas.
MOL
3D
#1522
Ru(2)
donors: {"N": 4}
Cc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1C.Cc1ccc(C(C)C)cc1.[Cl-]
8 meas.
MOL
3D
#1521
Ru(2)
donors: {"N": 4}
Cc1ccccc1.[Cl-].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
4 meas.
MOL
3D
#1520
Ru(2)
donors: {"P": 2}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1519
Ru(2)
donors: {"P": 2}
C(=C\P(c1ccccc1)c1ccccc1)\P(c1ccccc1)c1ccccc1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1518
Ru(2)
donors: {"O": 1, "P": 2}
OCCc1ccccc1.[Cl-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1517
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(C(F)(F)F)cc1.[Cl-]
3 meas.
MOL
3D
#1516
Ru(2)
donors: {"N": 3, "O": 1}
Cc1ccc(C(C)C)cc1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])cc1.[Cl-]
3 meas.
MOL
3D
#1515
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(I)cc1.[Cl-]
3 meas.
MOL
3D
#1514
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Br)cc1.[Cl-]
3 meas.
MOL
3D
#1513
Ru(2)
donors: {"N": 3}
Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1512
Ru(3)
donors: {"O": 1, "N": 2, "P": 1}
[Br-].[Br-].[O-]c1ccccc1/C=N/c1nc2ccccc2s1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1511
Ru(3)
donors: {"O": 1, "N": 2, "As": 1}
[Cl-].[Cl-].[O-]c1ccccc1/C=N/c1nc2ccccc2s1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1510
Ru(3)
donors: {"O": 1, "N": 2, "P": 1}
[Cl-].[Cl-].[O-]c1ccccc1/C=N/c1nc2ccccc2s1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1509
Ru(2)
donors: {"N": 8}
NCCCCCCN.NCCCCCCN.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
1 meas.
MOL
3D
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