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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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#6958
Rh(3)
donors: {"N": 3, "O": 1}
C/C=C/c1cccc2cc(-c3nc4ccccc4[nH]3)c(=N)oc12.CO.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#6957
Rh(3)
donors: {"N": 3, "O": 1}
CC(C)(C)c1cccc2cc(-c3nc4ccccc4[nH]3)c(=N)oc12.CO.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#6956
Rh(3)
donors: {"O": 1, "N": 3}
CO.N=c1oc2c(F)cccc2cc1-c1nc2ccccc2[nH]1.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
#6955
Rh(3)
donors: {"O": 1, "N": 5}
CC(C)([O-])c1ccccn1.N=C1C(=N)c2c(ccc3ccccc23)-c2ccccc21.c1cnc2c(c1)ccc1cccnc12
32 meas.
MOL
3D
#6954
Rh(3)
donors: {"O": 3, "N": 2}
O.O=C([O-])CNCCN(CC(=O)[O-])CC(=O)[O-]
5 meas.
MOL
3D
#6953
Rh(3)
donors: {"O": 3, "N": 2}
O=C([O-])CNCCN(CC(=O)[O-])CC(=O)[O-].[Cl-]
5 meas.
MOL
3D
#6952
Rh(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1ccc2cccnc2n1
2 meas.
MOL
3D
#6951
Rh(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(Cl)c2cccnc2n1
2 meas.
MOL
3D
#6950
Rh(1)
donors: {"N": 2, "S": 1}
C1=CCCC=CCC1.CC(C)/N=C(\[S-])C(=S)NC(C)C
2 meas.
MOL
3D
#6949
Rh(3)
donors: {"N": 2, "S": 1}
CC(C)/N=C(\[S-])C(=S)NC(C)C.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6948
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.Cc1ccccc1C[n+]1[c-]n(Cc2c3ccccc3cc3ccccc23)c2ccccc21.[Cl-]
1 meas.
MOL
3D
#6947
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.Clc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-]
3 meas.
MOL
3D
#6946
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.Clc1ccnc2c1ccc1c(Cl)ccnc12.[Cl-]
3 meas.
MOL
3D
#6945
Rh(1)
donors: {"O": 1, "N": 5}
[C-]#[O+].c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n(-c5ccccc5)n4)n3)nn2-c2ccccc2)cc1
12 meas.
MOL
3D
#6944
Rh(1)
donors: {"O": 1, "N": 5}
[C-]#[O+].[Cl-].c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n(-c5ccccc5)n4)n3)nn2-c2ccccc2)cc1
4 meas.
MOL
3D
#6943
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.CCn1[c-][n+](CC)cc1.[Cl-]
3 meas.
MOL
3D
#6942
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.CCn1[c-][n+](Cc2cccc3ccccc23)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[Cl-]
3 meas.
MOL
3D
#6941
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.CCn1[c-][n+](Cc2ccccc2)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[Cl-]
3 meas.
MOL
3D
#6940
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.CCn1[c-][n+](CC2CC2)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[Cl-]
3 meas.
MOL
3D
#6939
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.CCn1[c-][n+](Cc2c3ccccc3cc3ccccc23)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[Cl-]
3 meas.
MOL
3D
#6938
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.CCn1[c-][n+](CC)c(-c2ccc(-c3ccccc3)cc2)c1-c1ccc(-c2ccccc2)cc1.[Cl-]
3 meas.
MOL
3D
#6937
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.CCn1[c-][n+](CC)c(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1.[Cl-]
3 meas.
MOL
3D
#6936
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[Cl-]
3 meas.
MOL
3D
#6935
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[Cl-]
3 meas.
MOL
3D
#6934
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccnc(-c2cc(CNC(=O)c3ccc(O)c4c3C(=O)c3cccc(O)c3C4=O)ccn2)c1.[Cl-]
5 meas.
MOL
3D
#6933
Rh(3)
donors: {"N": 1}
CCC/N=C/c1[c-]cc2ccccc2c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6932
Rh(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[O-]c1ccccc1/C=N/c1ccc(CO)cc1
2 meas.
MOL
3D
#6931
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.OCc1ccc(/N=C/c2ccccn2)cc1.[Cl-]
2 meas.
MOL
3D
#6930
Rh(3)
donors: {"S": 3, "N": 4}
C1CSCCSCCS1.[Cl-].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
5 meas.
MOL
3D
#6929
Rh(3)
donors: {"S": 3, "N": 4}
C1CSCCSCCS1.[Cl-].c1cnc2c(c1)c1nccnc1c1cccnc12
5 meas.
MOL
3D
#6928
Rh(3)
donors: {"S": 3, "N": 4}
C1CSCCSCCS1.[Cl-].c1cnc2c(ccc3nccnc32)n1
5 meas.
MOL
3D
#6927
Rh(3)
donors: {"S": 3, "N": 2}
C1CSCCSCCS1.[Cl-].c1cnc2c(c1)ccc1cccnc12
5 meas.
MOL
3D
#6926
Rh(3)
donors: {"S": 3, "N": 4}
C1CSCCSCCS1.[Cl-].c1cnc(-c2ncccn2)nc1
5 meas.
MOL
3D
#6925
Rh(3)
donors: {"S": 3, "N": 2}
C1CSCCSCCS1.[Cl-].c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#6924
Rh(3)
donors: {"N": 6}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Nc1ccnc(-c2cc(N)ccn2)c1
2 meas.
MOL
3D
#6923
Rh(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
2 meas.
MOL
3D
#6922
Rh(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc2cccnc2c2ncccc12
2 meas.
MOL
3D
#6921
Rh(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Clc1cc2cccnc2c2ncccc12
2 meas.
MOL
3D
#6920
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.CCCC[n+]1[c-]n(C)cc1.[Cl-]
1 meas.
MOL
3D
#6919
Rh(3)
donors: {"O": 1, "N": 1}
COc1ccc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(OC)c(OC)c2)cc1OC.Cc1c(C)c(C)[c-](C)c1C.c1ccncc1
3 meas.
MOL
3D
#6918
Rh(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C(/C=C([O-])/C=C/c1ccc(F)c(F)c1)/C=C/c1ccc(F)c(F)c1.c1ccncc1
3 meas.
MOL
3D
#6917
Rh(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C(/C=C([O-])/C=C/c1ccccc1)/C=C/c1ccccc1.c1ccncc1
3 meas.
MOL
3D
#6916
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[c-]1cccc2ccc3cccnc3c12.c1ccncc1
2 meas.
MOL
3D
#6915
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[c-]1cccc2ccc3cccnc3c12.c1ccncc1
2 meas.
MOL
3D
#6914
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.[c-]1cccc2ccc3cccnc3c12.c1ccncc1
2 meas.
MOL
3D
#6913
Rh(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-].[c-]1cccc2ccc3cccnc3c12
2 meas.
MOL
3D
#6912
Rh(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].[c-]1cccc2ccc3cccnc3c12
2 meas.
MOL
3D
#6911
Rh(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].[c-]1cccc2ccc3cccnc3c12
2 meas.
MOL
3D
#6910
Rh(3)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-]
2 meas.
MOL
3D
#6909
Rh(3)
donors: {"N": 4}
CN(C)c1ccc(/N=N/c2ccccn2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
5 meas.
MOL
3D
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3/142 (7058 total)