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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
Has 3D struct
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#7008
Rh(3)
donors: {"O": 2}
O.O=c1c([O-])c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1c([O-])c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.[Cl-]
6 meas.
MOL
3D
#7007
Rh(3)
donors: {"N": 6}
Cc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(N(Cc2cc(CN(c3ccccn3)c3ccccn3)cc(CN(c3ccccn3)c3ccccn3)c2)c2ccccn2)nc1
4 meas.
MOL
3D
#7006
Rh(3)
donors: {"N": 6}
CC1(C)[C@@H]2CC[C@@]1(C)c1[nH]nc(-c3cccc(-c4n[nH]c5c4[C@H]4CC[C@]5(C)C4(C)C)n3)c12.[Cl-].c1nc[nH]n1.c1nc[nH]n1
4 meas.
MOL
3D
#7005
Rh(3)
donors: {"N": 5}
CC#N.Cc1ccc(-c2cc(C)nn2-c2ccc(Cl)c(C(=O)[N-]c3ccccc3)n2)cc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#7004
Rh(3)
donors: {"N": 5}
CC#N.COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3ccc(Cl)c(C(=O)[N-]c4ccccc4)n3)n2)cc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#7003
Rh(3)
donors: {"N": 5}
CC#N.COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(Cl)c(C(=O)[N-]c3ccccc3)n2)cc1.[Cl-].[Cl-]
6 meas.
MOL
3D
#7002
Rh(3)
donors: {"N": 5}
CC#N.O=C([N-]c1ccccc1)c1nc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)ccc1Cl.[Cl-].[Cl-]
6 meas.
MOL
3D
#7001
Rh(3)
donors: {"N": 5}
CC#N.O=C([N-]c1ccccc1)c1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ccc1Cl.[Cl-].[Cl-]
6 meas.
MOL
3D
#7000
Rh(3)
donors: {"N": 5}
CC#N.CCCCc1c(C)nn(-c2ccc(Cl)c(C(=O)[N-]c3ccccc3)n2)c1C.[Cl-].[Cl-]
6 meas.
MOL
3D
#6999
Rh(3)
donors: {"O": 1, "N": 4}
CO.O=C([N-]c1ccccc1)c1nc(-n2nc(C(F)(F)F)cc2C(F)(F)F)ccc1Cl.[Cl-].[Cl-]
6 meas.
MOL
3D
#6998
Rh(3)
donors: {"N": 5}
CC#N.CC(C)c1cc(C(C)C)n(-c2ccc(Cl)c(C(=O)[N-]c3ccccc3)n2)n1.[Cl-].[Cl-]
6 meas.
MOL
3D
#6997
Rh(3)
donors: {"N": 5}
CC#N.Cc1cc(-c2ccccc2)n(-c2ccc(Cl)c(C(=O)[N-]c3ccccc3)n2)n1.[Cl-].[Cl-]
7 meas.
MOL
3D
#6996
Rh(3)
donors: {"N": 5}
CC#N.O=C([N-]c1ccccc1)c1nc(-n2nc(C(F)(F)F)cc2-c2ccccc2)ccc1Cl.[Cl-].[Cl-]
7 meas.
MOL
3D
#6995
Rh(3)
donors: {"S": 3, "N": 1}
C1CSCCSCCS1.[Cl-].[c-]1ccccc1-c1ccccn1
3 meas.
MOL
3D
#6994
Rh(3)
donors: {"S": 4}
C1CSCCSCCS1.CC(C)C(=S)[S-].[Cl-]
3 meas.
MOL
3D
#6993
Rh(3)
donors: {"S": 3, "N": 2}
C1CSCCSCCS1.Nc1ccccc1N.[Cl-]
3 meas.
MOL
3D
#6992
Rh(3)
donors: {"S": 3, "N": 2}
C1CSCCSCCS1.Nc1cc2ccccc2cc1N.[Cl-]
3 meas.
MOL
3D
#6991
Rh(3)
donors: {"S": 3, "N": 2}
C1CSCCSCCS1.N=C1C(=N)c2ccccc2-c2ccccc21.[Cl-]
3 meas.
MOL
3D
#6990
Rh(3)
donors: {"S": 3, "N": 2}
C1CSCCSCCS1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Cl-]
3 meas.
MOL
3D
#6989
Rh(3)
donors: {"S": 2, "O": 2, "N": 2}
CS(C)=O.CS(C)=O.[Cl-].[Cl-].[Cl-].c1c[nH]cn1
4 meas.
MOL
3D
#6988
Rh(3)
donors: {"S": 2, "O": 2, "N": 2}
CS(C)=O.CS(C)=O.[Cl-].[Cl-].[Cl-].c1ccc2[nH]ncc2c1
4 meas.
MOL
3D
#6987
Rh(3)
donors: {"S": 3, "O": 3}
CS(C)=O.CS(C)=O.CS(C)=O.[Cl-].[Cl-].[Cl-]
4 meas.
MOL
3D
#6986
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.N/C(=N\O)c1ccccn1.[Cl-]
2 meas.
MOL
3D
#6985
Rh(3)
donors: {"N": 2}
C/C(=N\O)c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6984
Rh(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.O/N=C/c1ccccn1.[Cl-]
2 meas.
MOL
3D
#6983
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.Cc1cc(C)c(C[n+]2[c-]n(CC(C)C)c3ccccc32)c(C)c1.[Cl-]
4 meas.
MOL
3D
#6982
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.Cc1cc(C)c(C[n+]2[c-]n(CC(C)C)c3cc(C)c(C)cc32)c(C)c1.[Cl-]
4 meas.
MOL
3D
#6981
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.Cc1c(C)c(C)c(C[n+]2[c-]n(CC(C)C)c3ccccc32)c(C)c1C.[Cl-]
4 meas.
MOL
3D
#6980
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.Cc1cc2c(cc1C)[n+](Cc1c(C)c(C)c(C)c(C)c1C)[c-]n2CC(C)C.[Cl-]
4 meas.
MOL
3D
#6979
Rh(3)
donors: {"N": 4}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2nc(-c3nc4ccccc4s3)ccc2c1
6 meas.
MOL
3D
#6978
Rh(3)
donors: {"N": 4}
C/C(=N\N=C(/N)c1ccccn1)c1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6977
Rh(3)
donors: {"N": 4}
C/C(=N\N=C(/N)c1ccccn1)c1ccccc1O.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6976
Rh(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.N/C(=N\N=C\c1ccccc1O)c1ccccn1.[Cl-]
2 meas.
MOL
3D
#6975
Rh(3)
donors: {"N": 4}
COc1ccc(/C=N/N=C(\N)c2ccccn2)c(O)c1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#6974
Rh(3)
donors: {"S": 3, "N": 1}
C1CSCCSCCS1.CC#N.[Cl-].[Cl-]
3 meas.
MOL
3D
#6973
Rh(3)
donors: {"S": 3, "N": 2}
C1CSCCSCCS1.[Cl-].[Cl-].c1c[nH]cn1
1 meas.
MOL
3D
#6972
Rh(3)
donors: {"S": 5}
C1CSCCS1.C1CSCCSCCS1.[Cl-]
3 meas.
MOL
3D
#6971
Rh(3)
donors: {"N": 2, "S": 3}
C1CNCCN1.C1CSCCSCCS1.[Cl-]
3 meas.
MOL
3D
#6970
Rh(3)
donors: {"O": 1, "N": 2, "P": 2}
[Cl-].[O-]c1ccc(Cl)cc1/N=N/c1[c-]cccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
1 meas.
MOL
3D
#6969
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.CC(C)n1[c-][n+](C(C)C)cc1-c1ccc(Br)cc1.[Cl-]
3 meas.
MOL
3D
#6968
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.CC(C)n1[c-][n+](C(C)C)cc1-c1ccc(Cl)cc1.[Cl-]
3 meas.
MOL
3D
#6967
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.CC(C)n1[c-][n+](C(C)C)cc1-c1ccc(F)cc1.[Cl-]
3 meas.
MOL
3D
#6966
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.CC(C)n1[c-][n+](C(C)C)cc1-c1ccccc1.[Cl-]
3 meas.
MOL
3D
#6965
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.CCn1[c-][n+](CC)cc1-c1ccc(Br)cc1.[Cl-]
3 meas.
MOL
3D
#6964
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.CCn1[c-][n+](CC)cc1-c1ccc(Cl)cc1.[Cl-]
3 meas.
MOL
3D
#6963
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.CCn1[c-][n+](CC)cc1-c1ccc(F)cc1.[Cl-]
3 meas.
MOL
3D
#6962
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.CCn1[c-][n+](CC)cc1-c1ccccc1.[Cl-]
3 meas.
MOL
3D
#6961
Rh(3)
donors: {"N": 5, "S": 1}
CC(C)OC([N-]n1cnnc1[S-])c1ccccn1.Cc1c(C)c(C)[c-](C)c1C
3 meas.
MOL
3D
#6960
Rh(3)
donors: {"N": 5, "S": 1}
CCOC([N-]n1cnnc1[S-])c1ccccn1.Cc1c(C)c(C)[c-](C)c1C
3 meas.
MOL
3D
#6959
Rh(3)
donors: {"N": 5, "S": 1}
COC([N-]n1cnnc1[S-])c1ccccn1.Cc1c(C)c(C)[c-](C)c1C
3 meas.
MOL
3D
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