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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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#7058
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.Ic1ccc(Cn2[c-][n+](CCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.[Br-].[Br-]
3 meas.
MOL
3D
#7057
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.O=S(=O)(O)CCC[n+]1[c-]n(Cc2ccc(I)cc2)cc1.[Cl-]
3 meas.
MOL
3D
#7056
Rh(3)
donors: {"N": 3}
Cc1c(C)c(C)[c-](C)c1C.Nc1ccccc1-c1nc2ccccc2[nH]1.[Cl-]
1 meas.
MOL
3D
#7055
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.[Cl-].[c-]1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1
2 meas.
MOL
3D
#7054
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.CC(C)n1[c-][n+](C(C)C)c2ccccc21.[Cl-]
2 meas.
MOL
3D
#7053
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.CCn1[c-][n+](CC)c2ccccc21.[Cl-]
2 meas.
MOL
3D
#7052
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.Cn1[c-][n+](C)c2ccccc21.[Cl-]
2 meas.
MOL
3D
#7051
Rh(1)
donors: {"O": 2, "N": 1}
[C-]#[O+].[C-]#[O+].[Cl-].[c-]1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1
2 meas.
MOL
3D
#7050
Rh(1)
donors: {"N": 1, "O": 2}
CC(C)n1[c-][n+](C(C)C)c2ccccc21.[C-]#[O+].[C-]#[O+].[Cl-]
2 meas.
MOL
3D
#7049
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.CCN1[C-]=[N+](CC)C2=CC=CC3=CC=CC1C32.[Cl-]
2 meas.
MOL
3D
#7048
Rh(1)
donors: {"N": 1}
C1=CCCC=CCC1.CN1[C-]=[N+](C)C2=CC=CC3=CC=CC1C32.[Cl-]
2 meas.
MOL
3D
#7047
Rh(3)
donors: {"O": 3, "N": 2}
CO.[Cl-].[O-]c1ccc(Br)c2cccnc12.[O-]c1ccc(Br)c2cccnc12
6 meas.
MOL
3D
#7046
Rh(3)
donors: {"O": 3, "N": 3}
[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
6 meas.
MOL
3D
#7045
Rh(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1cc2ccc3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c4ccc(c1)c2c34
4 meas.
MOL
3D
#7044
Rh(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c3ccccc3cc2c1
4 meas.
MOL
3D
#7043
Rh(3)
donors: {"N": 6}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)ccc2c1
4 meas.
MOL
3D
#7042
Rh(3)
donors: {"N": 4}
Cc1c(C)c(C)[c-](C)c1C.O=C(CCCCCCC(=O)Nc1ccc(NC(=S)c2ccccn2)cc1)NO.[Cl-]
5 meas.
MOL
3D
#7041
Rh(1)
donors: {"N": 2}
C1=C\CC/C=C\CC/1.CCSc1ccc2c3c(cccc13)C(=O)N(CCC[n+]1[c-]n(Cc3ccccc3)cc1)C2=O.[Cl-]
2 meas.
MOL
3D
#7040
Rh(1)
donors: {"N": 2}
C1=C\CC/C=C\CC/1.CCSc1ccc2c3c(cccc13)C(=O)N(CCC[n+]1[c-]n(CC)cc1)C2=O.[Cl-]
2 meas.
MOL
3D
#7039
Rh(1)
donors: {"N": 2}
C1=C\CC/C=C\CC/1.CCSc1ccc2c3c(cccc13)C(=O)N(CCC[n+]1[c-]n(C)cc1)C2=O.[Cl-]
2 meas.
MOL
3D
#7038
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.COc1ccc2c(c1)[n+](C)[c-]n2C.[I-]
2 meas.
MOL
3D
#7037
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.COc1ccc2c(c1)[n+](C)[c-]n2C.[Cl-]
2 meas.
MOL
3D
#7036
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.Cc1ccc2c(c1)[n+](C)[c-]n2C.[I-]
2 meas.
MOL
3D
#7035
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.Cc1ccc2c(c1)[n+](C)[c-]n2C.[Cl-]
2 meas.
MOL
3D
#7034
Rh(1)
donors: {"N": 1, "O": 1}
C1=C\CC/C=C\CC/1.Cn1[c-][n+](C)c2cc([N+](=O)[O-])ccc21.[I-]
2 meas.
MOL
3D
#7033
Rh(1)
donors: {"N": 1, "O": 1}
C1=C\CC/C=C\CC/1.Cn1[c-][n+](C)c2cc([N+](=O)[O-])ccc21.[Cl-]
2 meas.
MOL
3D
#7032
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.Cn1[c-][n+](C)c2cc(Cl)ccc21.[I-]
2 meas.
MOL
3D
#7031
Rh(1)
donors: {"N": 1}
C1=C\CC/C=C\CC/1.Cn1[c-][n+](C)c2cc(Cl)ccc21.[Cl-]
2 meas.
MOL
3D
#7030
Rh(3)
donors: {"N": 5}
Cn1nc(-c2cccc(-c3nn(C)c4c3[C@H]3CC[C@]4(C)C3(C)C)n2)c2c1[C@]1(C)CC[C@H]2C1(C)C.[Cl-].[Cl-].[Cl-]
2 meas.
MOL
3D
#7029
Rh(3)
donors: {"N": 2, "S": 1, "O": 1}
COc1ccc2c(c1)CCN=C2c1ccccc1N.CS(C)=O.[Cl-].[Cl-].[Cl-]
7 meas.
MOL
3D
#7028
Rh(3)
donors: {"N": 2, "S": 1, "O": 1}
COc1cc2c(cc1OC)C(c1ccccc1N)=NCC2.CS(C)=O.[Cl-].[Cl-].[Cl-]
7 meas.
MOL
3D
#7027
Rh(3)
donors: {"P": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C(O)CCP(CCC(=O)O)CCC(=O)O.[Cl-].[Cl-]
7 meas.
MOL
3D
#7026
Rh(3)
donors: {"N": 4}
CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1
2 meas.
MOL
3D
#7025
Rh(3)
donors: {"N": 4}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1
2 meas.
MOL
3D
#7024
Rh(3)
donors: {"N": 4}
CCCc1ccnc(-c2cc(CCC)ccn2)c1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1
2 meas.
MOL
3D
#7023
Rh(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1ccnc(-c2cc(C)ccn2)c1
2 meas.
MOL
3D
#7022
Rh(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cccc(-c2cccc(C)n2)n1
2 meas.
MOL
3D
#7021
Rh(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C([O-])c1ccccn1.[Cl-]
3 meas.
MOL
3D
#7020
Rh(3)
donors: {"O": 1, "N": 1}
Cc1c(C)c(C)[c-](C)c1C.Cc1c([O-])c(=O)ccn1C.[Cl-]
3 meas.
MOL
3D
#7019
Rh(3)
donors: {"S": 2, "O": 3, "N": 1}
CS(C)=O.CS(C)=O.Cc1ccc2cccc([O-])c2n1.[Cl-].[Cl-]
6 meas.
MOL
3D
#7018
Rh(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(Cl)c2ccc3c(Cl)cc(C)nc3c2n1
2 meas.
MOL
3D
#7017
Rh(3)
donors: {"N": 4}
Clc1ccc(-c2[c-]cccc2)nc1.Clc1ccc(-c2[c-]cccc2)nc1.Clc1ccnc(-c2cc(Cl)ccn2)c1
2 meas.
MOL
3D
#7016
Rh(3)
donors: {"N": 4}
Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Clc1ccnc(-c2cc(Cl)ccn2)c1
2 meas.
MOL
3D
#7015
Rh(3)
donors: {"N": 2, "F": 6}
COC(=O)C(C)([N-]c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.Cc1c(C)c(C)[c-](-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C
4 meas.
MOL
3D
#7014
Rh(3)
donors: {"N": 2, "F": 1}
COC(=O)C(C)([N-]c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.Cc1c(C)c(C)[c-](-c2ccccc2F)c1C
3 meas.
MOL
3D
#7013
Rh(3)
donors: {"N": 2}
COC(=O)C(C)([N-]c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.Cc1c(C)c(C)[c-](-c2ccccc2)c1C
3 meas.
MOL
3D
#7012
Rh(3)
donors: {"N": 2}
COC(=O)C(C)([N-]c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.Cc1c(C)c(C)[c-](C)c1C
3 meas.
MOL
3D
#7011
Rh(3)
donors: {"N": 2}
CCc1cccc(CC)c1/N=C(\C)C(C)([N-]c1c(CC)cccc1CC)C(=O)OC.Cc1c(C)c(C)[c-](C)c1C
4 meas.
MOL
3D
#7010
Rh(3)
donors: {"N": 7}
Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
4 meas.
MOL
3D
#7009
Rh(3)
donors: {"N": 7}
[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1
4 meas.
MOL
3D
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