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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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#1008
Ru(2)
donors: {"O": 1, "P": 2}
OCCCCc1ccccc1.[Cl-].c1ccc(P(c2ccccc2)c2cccc3cccc(P(c4ccccc4)c4ccccc4)c23)cc1
2 meas.
MOL
3D
#1007
Ru(2)
donors: {"O": 1, "P": 2}
OCCCCc1ccccc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#1006
Ru(2)
donors: {"N": 4, "P": 1}
C1CN2CCN3CCN1CP(C2)C3.CC#N.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1005
Ru(2)
donors: {"N": 6, "P": 2}
C1CN2CCN3CCN1CP(C2)C3.C1CN2CCN3CCN1CP(C2)C3.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#1004
Ru(2)
donors: {"N": 3, "P": 1}
C1CN2CCN3CCN1CP(C2)C3.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#1003
Ru(2)
donors: {"N": 2, "O": 1}
C(=N/C(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccn1.OCCCCc1ccccc1.[Cl-]
2 meas.
MOL
3D
#1002
Ru(2)
donors: {"N": 2, "O": 1}
C(=N/C(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccn1.OCCCc1ccccc1.[Cl-]
2 meas.
MOL
3D
#1001
Ru(2)
donors: {"N": 2}
C(=N/C(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-]
2 meas.
MOL
3D
#1000
Ru(2)
donors: {"N": 2}
C(=N/C(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccn1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#999
Ru(2)
donors: {"N": 5, "O": 1}
[N+]=O.[OH-].c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
3 meas.
MOL
3D
#998
Ru(2)
donors: {"N": 5, "O": 1}
[Cl-].[N+]=O.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
3 meas.
MOL
3D
#997
Ru(2)
donors: {"N": 4}
[Cl-].[Cl-].c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
3 meas.
MOL
3D
#996
Ru(2)
donors: {"N": 2}
[2H]C([2H])([2H])OC(=O)C([N-]c1c(C(C)C)cccc1C(C)C)(/C(=N/c1c(C(C)C)cccc1C(C)C)C([2H])([2H])[2H])C([2H])([2H])[2H].c1cccc...
4 meas.
MOL
3D
#995
Ru(2)
donors: {"N": 2, "O": 1}
COC(=O)C(C)([N-]c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.OCCCCc1ccccc1
4 meas.
MOL
3D
#994
Ru(2)
donors: {"N": 2, "O": 1}
COC(=O)C(C)([N-]c1c(C(C)C)cccc1C(C)C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.OCCCc1ccccc1
4 meas.
MOL
3D
#993
Ru(2)
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.c1ccccc1
4 meas.
MOL
3D
#992
Ru(2)
donors: {"O": 1}
COc1cc(/C=C/C([O-])=C/C(C)=O)cc(OC)c1OC.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#991
Ru(2)
donors: {"O": 1}
COc1ccc(/C=C/C([O-])=C/C(C)=O)cc1OC.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#990
Ru(2)
donors: {"O": 1}
COc1cc(/C=C/C([O-])=C/C(C)=O)ccc1O.Cc1ccc(C(C)C)cc1.[Cl-]
3 meas.
MOL
3D
#989
Ru(2)
donors: {"N": 3, "S": 1, "O": 1, "P": 2}
C/C(=N\N=C(\N)[S-])c1[c-]c2ccc(O)cc2oc1=O.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#988
Ru(2)
donors: {"N": 3, "O": 1, "P": 2}
C/C(=N\NC(N)=O)c1cc2ccc(O)cc2oc1=O.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#987
Ru(2)
donors: {"N": 3, "S": 1, "O": 1, "P": 2}
C/C(=N\N=C(\N)[S-])c1[c-]c2cc(Cl)ccc2oc1=O.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#986
Ru(2)
donors: {"N": 3, "O": 2, "P": 2}
C/C(=N\N=C(\N)[O-])c1cc2cc(Cl)ccc2oc1=O.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#985
Ru(2)
donors: {"N": 8}
O=C(O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
2 meas.
MOL
3D
#984
Ru(2)
c1cc[cH-]c1.c1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1
2 meas.
MOL
3D
#983
Ru(2)
donors: {"O": 1}
COc1ccc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(OC)cc2)cc1.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
2 meas.
MOL
3D
#982
Ru(2)
donors: {"O": 1}
COc1ccc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(OC)cc2)cc1.[Cl-].c1ccccc1
2 meas.
MOL
3D
#981
Ru(2)
donors: {"O": 1}
COc1ccc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(OC)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
10 meas.
MOL
3D
#980
Ru(2)
donors: {"O": 1}
COc1ccc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(OC)c(OC)c2)cc1OC.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]
7 meas.
MOL
3D
#979
Ru(2)
donors: {"O": 1}
COc1ccc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(OC)c(OC)c2)cc1OC.[Cl-].c1ccccc1
7 meas.
MOL
3D
#978
Ru(2)
donors: {"O": 1}
COc1ccc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(OC)c(OC)c2)cc1OC.Cc1ccc(C(C)C)cc1.[Cl-]
10 meas.
MOL
3D
#977
Ru(2)
donors: {"N": 6, "S": 1}
C[C@@H]1CC[C@]2(C(=O)N3CCN(C(=S)[S-])CC3)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C.c1ccc(-c2ccnc3...
6 meas.
MOL
3D
#976
Ru(2)
donors: {"N": 6, "S": 1}
C[C@@H]1CC[C@]2(C(=O)N3CCN(C(=S)[S-])CC3)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C.c1cnc2c(c1)ccc...
6 meas.
MOL
3D
#975
Ru(2)
donors: {"N": 6, "S": 1}
C[C@@H]1CC[C@]2(C(=O)N3CCN(C(=S)[S-])CC3)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@H]1C.c1ccc(-c2ccccn...
6 meas.
MOL
3D
#974
Ru(3)
donors: {"N": 2}
C/C(=N\NC(=O)C[N+](C)(C)C)c1cccs1.[Cl-].[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#973
Ru(3)
donors: {"N": 2, "O": 1}
C/C(=N\NC(=O)C[N+](C)(C)C)c1ccccc1[O-].O.[Cl-].[Cl-].[Cl-]
1 meas.
MOL
3D
#972
Ru(2)
donors: {"N": 2, "O": 2, "P": 2}
CC(C)[C@H](N)C(=O)[O-].[Cl-].[N+]=O.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#971
Ru(2)
donors: {"N": 2, "O": 2, "P": 2}
N[C@@H](Cc1ccccc1)C(=O)[O-].[Cl-].[N+]=O.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#970
Ru(2)
donors: {"N": 2, "O": 2, "P": 2}
C[C@H](N)C(=O)[O-].[Cl-].[N+]=O.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#969
Ru(2)
donors: {"N": 2, "O": 2, "P": 2}
NCC(=O)[O-].[Cl-].[N+]=O.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
2 meas.
MOL
3D
#968
Ru(2)
donors: {"N": 6}
CCCCCCCCCCCCCCCCCCNCc1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#967
Ru(2)
donors: {"N": 6}
CCCCCCCCCCCCCCCCCCNCc1ccccn1.O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21
1 meas.
MOL
3D
#966
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Cn1c(N)nc2ccccc21.[Cl-].[Cl-]
4 meas.
MOL
3D
#965
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.Nc1nc2ccccc2[nH]1.[Cl-].[Cl-]
4 meas.
MOL
3D
#964
Ru(2)
Cc1c(C)c(C)[c-](C)c1C.Cc1ccccc1
41 meas.
MOL
3D
#963
Ru(3)
donors: {"N": 1, "O": 1}
CCOC(=O)C(C)NCc1cccc(OC)c1[O-].O.[Cl-].[Cl-]
3 meas.
MOL
3D
#962
Ru(3)
donors: {"N": 1, "O": 1}
COC(=O)C(C)NCc1cccc(OC)c1[O-].O.[Cl-].[Cl-]
3 meas.
MOL
3D
#961
Ru(3)
donors: {"N": 1, "O": 1}
CCOC(=O)C(NCc1cccc(OC)c1[O-])C(C)C.O.[Cl-].[Cl-]
3 meas.
MOL
3D
#960
Ru(3)
donors: {"N": 1, "O": 1}
COC(=O)C(NCc1cccc(OC)c1[O-])C(C)C.O.[Cl-].[Cl-]
3 meas.
MOL
3D
#959
Ru(3)
donors: {"N": 1, "O": 1}
CCOC(=O)C(Cc1ccccc1)NCc1cccc(OC)c1[O-].O.[Cl-].[Cl-]
3 meas.
MOL
3D
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