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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
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Rh
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Ox. State
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Donor atoms
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#1608
Ru(2)
donors: {"S": 4, "N": 2, "O": 2}
C1CSCCSCCS1.CCn1nc(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3.CS(C)=O
2 meas.
MOL
3D
#1607
Ru(2)
donors: {"S": 4, "N": 2, "O": 2}
C1CSCCSCCS1.CCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21.CS(C)=O
2 meas.
MOL
3D
#1606
Ru(2)
donors: {"S": 2, "O": 1, "N": 2}
C1CSCCSCCS1.CS(C)=O.C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23
2 meas.
MOL
3D
#1605
Ru(2)
donors: {"N": 1}
COc1ccc(Cn2[c-][n+](Cc3ccc(OC)cc3)c(-c3ccc(C(C)C)cc3)c2-c2ccc(C(C)C)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#1604
Ru(2)
donors: {"N": 1}
COc1ccc(-c2c(-c3ccc(OC)cc3)[n+](Cc3ccc(C)cc3)[c-]n2Cc2ccc(C)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#1603
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc(Cn2[c-][n+](Cc3ccc(C)cc3)c(-c3ccc(C(C)C)cc3)c2-c2ccc(C(C)C)cc2)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#1602
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cc1ccc(Cn2[c-][n+](Cc3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#1601
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].[c-]1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1
2 meas.
MOL
3D
#1600
Ru(2)
donors: {"N": 2}
C[n+]1[c-]n(Cc2ccc(C#N)cc2)c2ccccc21.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#1599
Ru(2)
donors: {"N": 2, "P": 1}
c1cc[cH-]c1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
16 meas.
MOL
3D
#1598
Ru(2)
donors: {"O": 1, "P": 1, "N": 2}
O=S(=O)([O-])c1cccc(P(c2ccccc2)c2ccccc2)c1.[Na+].c1cc[cH-]c1.c1ccc(-c2ccccn2)nc1
19 meas.
MOL
3D
#1597
Ru(2)
donors: {"N": 7}
[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
18 meas.
MOL
3D
#1596
Ru(2)
donors: {"N": 7}
[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nccnc1c1cccnc12
18 meas.
MOL
3D
#1595
Ru(2)
donors: {"N": 7}
[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
18 meas.
MOL
3D
#1594
Ru(2)
donors: {"N": 7}
[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nc[nH]c1c1cccnc12
18 meas.
MOL
3D
#1593
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
25 meas.
MOL
3D
#1592
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nccnc1c1cccnc12
20 meas.
MOL
3D
#1591
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nc[nH]c1c1cccnc12
21 meas.
MOL
3D
#1590
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]c1c(Cl)cccc1Cl)c1cc2ccccc2cn1.[Cl-]
2 meas.
MOL
3D
#1589
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]c1cc(Cl)ccc1Cl)c1ccccn1.[Cl-]
3 meas.
MOL
3D
#1588
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]c1ccc(Cl)cc1Cl)c1ccccn1.[Cl-]
3 meas.
MOL
3D
#1587
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]c1cccc(Cl)c1)c1ccccn1.[Cl-]
2 meas.
MOL
3D
#1586
Ru(2)
donors: {"N": 2}
Cc1ccc(C(C)C)cc1.O=C([N-]c1ccccc1Cl)c1ccccn1.[Cl-]
3 meas.
MOL
3D
#1585
Ru(2)
donors: {"N": 2}
Cc1c(C)c(C)c(C)c(C)c1C.Oc1cccc2c(/N=C/c3ccc4ccccc4n3)cccc12.[Cl-]
3 meas.
MOL
3D
#1584
Ru(2)
donors: {"N": 2}
CC(C)c1cc(C(C)C)cc(C(C)C)c1.COc1ccc(/N=C/c2ccc3ccccc3n2)cc1.[Cl-]
16 meas.
MOL
3D
#1583
Ru(2)
donors: {"N": 2}
C(=N/c1cccc2ccccc12)\c1ccccn1.CC(C)c1cc(C(C)C)cc(C(C)C)c1.[Cl-]
3 meas.
MOL
3D
#1582
Ru(2)
donors: {"N": 2}
Cc1ccccc1.Oc1ccc(/N=C/c2ccc3ccccc3n2)cc1.[Cl-]
3 meas.
MOL
3D
#1581
Ru(2)
donors: {"N": 2}
Oc1ccc(/N=C/c2ccc3ccccc3n2)cc1.[Cl-].c1ccccc1
3 meas.
MOL
3D
#1580
Ru(2)
donors: {"N": 4}
CN(C)c1ccc2c3c(cccc13)C(=O)N(CCCn1ccnc1)C2=O.Cc1ccccc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1579
Ru(2)
donors: {"N": 4}
CN(C)c1ccc2c3c(cccc13)C(=O)N(CCCn1ccnc1)C2=O.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1578
Ru(2)
donors: {"N": 3}
Cc1ccccc1.O=C1c2cccc3cccc(c23)C(=O)N1CCCn1ccnc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1577
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C1c2cccc3cccc(c23)C(=O)N1CCCn1ccnc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1576
Ru(2)
donors: {"N": 5, "P": 1}
C1N2CN3CN1CP(C2)C3.CN(C)c1ccc2c3c(cccc13)C(=O)N(CCCc1ccccc1)C2=O.[Cl-].[Cl-]
3 meas.
MOL
3D
#1575
Ru(2)
donors: {"N": 5, "P": 1}
C1N2CN3CN1CP(C2)C3.CN(C)c1ccc2c3c(cccc13)C(=O)N(CCc1ccccc1)C2=O.[Cl-].[Cl-]
3 meas.
MOL
3D
#1574
Ru(2)
donors: {"N": 5, "P": 1}
C1N2CN3CN1CP(C2)C3.CN(C)c1ccc2c3c(cccc13)C(=O)N(Cc1ccccc1)C2=O.[Cl-].[Cl-]
3 meas.
MOL
3D
#1573
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)c(C)c(C)c1C.O=C(/C=C([O-])/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1
3 meas.
MOL
3D
#1572
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C(/C=C([O-])/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1
6 meas.
MOL
3D
#1571
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O.Cc1c(C)c(C)c(C)c(C)c1C
3 meas.
MOL
3D
#1570
Ru(2)
donors: {"N": 3, "P": 1, "O": 1}
C1N2CN3CN1CP(C2)C3.COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O.Cc1ccc(C(C)C)cc1
6 meas.
MOL
3D
#1569
Ru(2)
donors: {"N": 2}
CN1CCCN(Cc2c3ccccc3cc3ccccc23)CC1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1568
Ru(2)
donors: {"N": 2}
CN1CCCNCC1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1567
Ru(2)
donors: {"N": 2}
CN1CCCN(Cc2c3ccccc3cc3ccccc23)CC1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#1566
Ru(2)
donors: {"N": 2}
CN1CCCNCC1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#1565
Ru(2)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[I-]
4 meas.
MOL
3D
#1564
Ru(2)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
6 meas.
MOL
3D
#1563
Ru(2)
donors: {"N": 3}
CN(C)c1ccc(/N=C/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[I-]
5 meas.
MOL
3D
#1562
Ru(2)
donors: {"N": 3}
CN(C)c1ccc(/N=C/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
5 meas.
MOL
3D
#1561
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-n2c(-c3ccc(OCCCC[P+](c4cccc...
1 meas.
MOL
3D
#1560
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-n2c(-c3ccc(C[P+](c4ccccc4)(...
1 meas.
MOL
3D
#1559
Ru(2)
donors: {"N": 8}
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c...
1 meas.
MOL
3D
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