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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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Donor atoms
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#6558
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.FC(F)(F)c1ccc(Cl)c(/C=N/c2ccccc2)n1.[Cl-]
1 meas.
MOL
3D
#6557
Os(2)
donors: {"N": 2}
FC(F)(F)c1ccc(Cl)c(/C=N/c2ccccc2)n1.[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6556
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.FC(F)(F)c1cccc(/C=N/c2ccccc2)n1.[I-]
1 meas.
MOL
3D
#6555
Os(2)
donors: {"N": 2}
FC(F)(F)c1cccc(/C=N/c2ccccc2)n1.[I-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6554
Os(2)
donors: {"N": 3}
COc1cccc(/C=N/c2ccc(N(C)C)cc2)n1.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#6553
Os(2)
donors: {"N": 3}
COc1cccc(/C=N/c2ccc(N(C)C)cc2)n1.[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6552
Os(2)
donors: {"N": 3}
CN(C)c1ccc(/N=C/c2ccccn2)cc1.[Cl-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#6551
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.Oc1ccc(/N=C/c2ccccn2)cc1.[Cl-]
1 meas.
MOL
3D
#6550
Os(2)
donors: {"N": 2}
Oc1ccc(/N=C/c2ccccn2)cc1.[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6549
Os(2)
donors: {"N": 2}
C(=N/c1ccccc1)\c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#6548
Os(2)
donors: {"N": 2}
C(=N/c1ccccc1)\c1ccccn1.[Cl-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#6547
Os(2)
donors: {"N": 3}
COc1cccc(/C=N/c2ccc(N(C)C)cc2)n1.Cc1ccc(C(C)C)cc1.[I-]
1 meas.
MOL
3D
#6546
Os(2)
donors: {"N": 3}
COc1cccc(/C=N/c2ccc(N(C)C)cc2)n1.[I-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6545
Os(2)
donors: {"N": 3}
CN(C)c1ccc(/N=C/c2ccccn2)cc1.[I-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6544
Os(2)
donors: {"N": 2}
Oc1ccc(/N=C/c2ccccn2)cc1.[I-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#6543
Os(2)
donors: {"N": 2}
C(=N/c1ccccc1)\c1ccccn1.Cc1ccc(C(C)C)cc1.[I-]
1 meas.
MOL
3D
#6542
Os(2)
donors: {"N": 2}
C(=N/c1ccccc1)\c1ccccn1.[I-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6541
Os(2)
donors: {"N": 6}
NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCNc2ccnc(-c3cc(NCCNC(=O)CCC(=O)Nc4ccc(S(N)(=O)=O)cc4)ccn3)c2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c...
3 meas.
MOL
3D
#6540
Os(2)
donors: {"N": 6}
NCCNc1ccnc(-c2cc(NCCNC(=O)CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3...
3 meas.
MOL
3D
#6539
Os(2)
donors: {"N": 8}
Nc1ccnc(-c2cc(N)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
5 meas.
MOL
3D
#6538
Os(2)
donors: {"N": 1}
CC#N.[Cl-].[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6537
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#6536
Os(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.NCc1ccccn1.[Cl-]
1 meas.
MOL
3D
#6535
Os(2)
donors: {"N": 2}
C1=CCC2=C(C1)Cc1ccccc1C2.NCCN.[Cl-]
2 meas.
MOL
3D
#6534
Os(2)
donors: {"N": 2}
NCCN.[Cl-].c1ccc(-c2ccccc2)cc1
9 meas.
MOL
3D
#6533
Os(2)
donors: {"N": 1, "O": 1}
CCOC(=O)c1ccnc(C(=O)[O-])c1.[Cl-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#6532
Os(2)
donors: {"N": 1, "O": 1}
Cc1ccnc(C(=O)[O-])c1.[Cl-].c1ccc(-c2ccccc2)cc1
4 meas.
MOL
3D
#6531
Os(2)
donors: {"N": 1, "O": 1}
O=C(O)c1ccnc(C(=O)[O-])c1.[Cl-].c1ccc(-c2ccccc2)cc1
4 meas.
MOL
3D
#6530
Os(2)
donors: {"O": 1, "N": 1}
O=C([O-])c1cc(Cl)ccn1.[Cl-].c1ccc(-c2ccccc2)cc1
4 meas.
MOL
3D
#6529
Os(2)
donors: {"O": 1, "N": 1}
Cc1cccc(C(=O)[O-])n1.[Cl-].c1ccc(-c2ccccc2)cc1
4 meas.
MOL
3D
#6528
Os(2)
donors: {"O": 1, "N": 1}
O=C([O-])c1cccc(O)n1.[Cl-].c1ccc(-c2ccccc2)cc1
4 meas.
MOL
3D
#6527
Os(2)
donors: {"O": 1, "N": 1}
O=C([O-])c1cccc(Br)n1.[Cl-].c1ccc(-c2ccccc2)cc1
4 meas.
MOL
3D
#6526
Os(2)
donors: {"N": 1, "O": 1}
C1=CCC2=C(C1)Cc1ccccc1C2.Cc1ccnc(C(=O)[O-])c1.[Cl-]
1 meas.
MOL
3D
#6525
Os(2)
donors: {"N": 1, "O": 1}
Cc1ccc(C(C)C)cc1.Cc1ccnc(C(=O)[O-])c1.[Cl-]
1 meas.
MOL
3D
#6524
Os(2)
donors: {"N": 1, "O": 1}
Cc1ccnc(C(=O)[O-])c1.[Cl-].c1ccccc1
1 meas.
MOL
3D
#6523
Os(2)
donors: {"O": 1, "N": 2}
CC(=O)[O-].CCCCn1c(-c2[c-]cc(-c3ccccc3)cc2)nc2cc(C(=O)OC)ccc21.Cc1ccc(C(C)C)cc1
7 meas.
MOL
3D
#6522
Os(2)
donors: {"O": 1, "N": 2}
CC(=O)[O-].CCCCn1c(-c2[c-]cc(C(F)(F)F)cc2)nc2cc(C(=O)OC)ccc21.Cc1ccc(C(C)C)cc1
7 meas.
MOL
3D
#6521
Os(2)
donors: {"N": 2}
CCCCn1c(-c2[c-]cc(F)cc2)nc2cc(C(=O)OC)ccc21.Cc1ccc(C(C)C)cc1.[Cl-]
7 meas.
MOL
3D
#6520
Os(2)
donors: {"N": 2}
CCCCn1c(-c2[c-]cc(OC)cc2)nc2cc(C(=O)OC)ccc21.Cc1ccc(C(C)C)cc1.[Cl-]
7 meas.
MOL
3D
#6519
Os(2)
donors: {"N": 2}
CCCCn1c(-c2[c-]cc(C)cc2)nc2cc(C(=O)OC)ccc21.Cc1ccc(C(C)C)cc1.[Cl-]
7 meas.
MOL
3D
#6518
Os(2)
donors: {"N": 2}
CCCCn1c(-c2[c-]cccc2)nc2cc(C(=O)OC)ccc21.Cc1ccc(C(C)C)cc1.[Cl-]
7 meas.
MOL
3D
#6517
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Oc1ccc(/N=N/c2ccc(Br)cn2)cc1.[I-]
4 meas.
MOL
3D
#6516
Os(2)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
8 meas.
MOL
3D
#6515
Os(2)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.[Cl-].c1ccc(-c2ccccc2)cc1
2 meas.
MOL
3D
#6514
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Oc1ccc(/N=N/c2ccccn2)cc1.[Cl-]
1 meas.
MOL
3D
#6513
Os(2)
donors: {"N": 3}
Oc1ccc(/N=N/c2ccccn2)cc1.[Cl-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6512
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(/N=N/c2ccccn2)cc1
1 meas.
MOL
3D
#6511
Os(2)
donors: {"N": 3}
[Cl-].c1ccc(-c2ccccc2)cc1.c1ccc(/N=N/c2ccccn2)cc1
1 meas.
MOL
3D
#6510
Os(2)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.[I-].c1ccc(-c2ccccc2)cc1
1 meas.
MOL
3D
#6509
Os(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Oc1ccc(/N=N/c2ccccn2)cc1.[I-]
5 meas.
MOL
3D
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11/142 (7058 total)