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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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Ru
Ox. State
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Donor atoms
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#58
Ru(2)
donors: {"S": 2, "O": 2, "N": 3}
CS(C)=O.CS(C)=O.Nc1ccccc1-c1nc2ccccc2[nH]1.[Cl-].[Cl-]
3 meas.
MOL
3D
#57
Ru(2)
donors: {"S": 1, "O": 2, "N": 2}
CCS(=O)CCS(=O)CC.Cc1ncc([N+](=O)[O-])n1CCO.Cc1ncc([N+](=O)[O-])n1CCO.[Cl-].[Cl-]
1 meas.
MOL
3D
#56
Ru(2)
donors: {"S": 2, "O": 4}
CCS(=O)CCS(=O)CC.CCc1occc(=O)c1[O-].CCc1occc(=O)c1[O-]
1 meas.
MOL
3D
#55
Ru(2)
donors: {"S": 2, "O": 4}
CCS(=O)CCS(=O)CC.Cc1occc(=O)c1[O-].Cc1occc(=O)c1[O-]
1 meas.
MOL
3D
#54
Ru(2)
donors: {"O": 4, "S": 2}
CCc1occc(=O)c1[O-].CCc1occc(=O)c1[O-].O=S1CCCC1.O=S1CCCC1
1 meas.
MOL
3D
#53
Ru(2)
donors: {"O": 4, "S": 2}
Cc1occc(=O)c1[O-].Cc1occc(=O)c1[O-].O=S1CCCC1.O=S1CCCC1
1 meas.
MOL
3D
#52
Ru(2)
donors: {"O": 4, "S": 2}
CCc1occc(=O)c1[O-].CCc1occc(=O)c1[O-].CS(C)=O.CS(C)=O
1 meas.
MOL
3D
#51
Ru(2)
donors: {"S": 2, "O": 4}
CS(C)=O.CS(C)=O.Cc1occc(=O)c1[O-].Cc1occc(=O)c1[O-]
1 meas.
MOL
3D
#50
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccc2ccccc2c1CNCc1ccco1.c1ccccc1
5 meas.
MOL
3D
#49
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccc2ccccc2c1CNCC1CCCCC1.c1ccccc1
5 meas.
MOL
3D
#48
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccc2ccccc2c1C=NCc1ccco1.c1ccccc1
5 meas.
MOL
3D
#47
Ru(2)
donors: {"O": 1, "N": 1}
[Cl-].[O-]c1ccc2ccccc2c1C=NCC1CCCCC1.c1ccccc1
5 meas.
MOL
3D
#46
Ru(2)
donors: {"N": 5, "P": 1}
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#45
Ru(2)
donors: {"N": 6}
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1.CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#44
Ru(2)
donors: {"N": 8}
COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
17 meas.
MOL
3D
#43
Ru(2)
donors: {"N": 8}
COc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
12 meas.
MOL
3D
#42
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
16 meas.
MOL
3D
#41
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#40
Ru(2)
donors: {"O": 1, "N": 5}
O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
12 meas.
MOL
3D
#39
Ru(2)
donors: {"N": 5, "O": 1}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=[N+]([O-])c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
3 meas.
MOL
3D
#38
Ru(2)
donors: {"N": 5, "O": 1}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=[N+]([O-])c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1
3 meas.
MOL
3D
#37
Ru(2)
donors: {"N": 5, "O": 1}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
3 meas.
MOL
3D
#36
Ru(2)
donors: {"N": 3, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-].[Cl-]
2 meas.
MOL
3D
#35
Ru(2)
donors: {"N": 3, "P": 1, "O": 2}
C1N2CN3CN1CP(C2)C3.CCOC(=O)c1ccccc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#34
Ru(2)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1n(CCc2ccccc2)cc[n+]1C.[Cl-].[Cl-]
2 meas.
MOL
3D
#33
Ru(2)
donors: {"N": 2, "P": 1, "O": 3}
C1N2CN3CN1CP(C2)C3.[Cl-].[Cl-].c1ccc2c(c1)OCCOCCOCCOCCO2
2 meas.
MOL
3D
#32
Ru(2)
donors: {"N": 3, "P": 1}
C1N2CN3CN1CP(C2)C3.[Cl-].[Cl-].c1ccccc1
2 meas.
MOL
3D
#31
Ru(2)
donors: {"N": 2, "P": 1}
C[N+]12CN3CN(CP(C3)C1)C2.Cc1ccccc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#30
Ru(2)
donors: {"N": 3, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccccc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#29
Ru(2)
donors: {"N": 2, "P": 1}
C[N+]12CN3CN(CP(C3)C1)C2.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
2 meas.
MOL
3D
#28
Ru(2)
donors: {"N": 3, "P": 1}
C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
56 meas.
MOL
3D
#27
Ru(2)
donors: {"N": 3, "P": 1}
CN1CN2CN(C1)CP(C)C2.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
1 meas.
MOL
3D
#26
Ru(2)
donors: {"N": 3, "P": 1}
CN1CN2CN(C1)CP(C)C2.Cc1ccccc1.[Cl-]
1 meas.
MOL
3D
#25
Ru(2)
donors: {"N": 3, "P": 1}
CN1CN2CN(C1)CP(C)C2.[Cl-].c1ccccc1
1 meas.
MOL
3D
#24
Ru(2)
donors: {"N": 3, "P": 1}
CN1CN2CN(C1)CP(C)C2.Cc1ccc(C(C)C)cc1.[Cl-]
1 meas.
MOL
3D
#23
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.O=S(=O)(CCCP(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#22
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.O=S(=O)(CCP(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#21
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.O=S(=O)(CP(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#20
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.O=S(CCCP(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#19
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.O=S(CCP(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#18
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.O=S(CP(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-].[Cl-]
5 meas.
MOL
3D
#17
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(SCCCP(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#16
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(SCCP(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#15
Ru(2)
donors: {"P": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc(SCP(c2ccccc2)c2ccccc2)cc1
5 meas.
MOL
3D
#14
Ru(2)
donors: {"N": 4, "P": 1}
CC#N.C[N+]12CN3CN(CP(C3)C1)C2.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn([BH-](n2cccn2)n2cccn2)c1
4 meas.
MOL
3D
#13
Ru(2)
donors: {"N": 5, "P": 1}
C1N2CN3CN1CP(C2)C3.CC#N.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn([BH-](n2cccn2)n2cccn2)c1
8 meas.
MOL
3D
#12
Ru(2)
donors: {"N": 4, "P": 1}
C[N+]12CN3CN(CP(C3)C1)C2.[H-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn([BH-](n2cccn2)n2cccn2)c1
4 meas.
MOL
3D
#11
Ru(2)
donors: {"N": 4, "P": 1}
C1N2CN3CN1CP(C2)C3.[H-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn([BH-](n2cccn2)n2cccn2)c1
4 meas.
MOL
3D
#10
Ru(2)
donors: {"P": 1, "N": 4}
COP(OC)OC.C[N+]12CN3CN(CP(C3)C1)C2.[Cl-].c1cnn([BH-](n2cccn2)n2cccn2)c1
4 meas.
MOL
3D
#9
Ru(2)
donors: {"P": 1, "N": 4}
CP(C)c1ccccc1.C[N+]12CN3CN(CP(C3)C1)C2.[Cl-].c1cnn([BH-](n2cccn2)n2cccn2)c1
4 meas.
MOL
3D
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