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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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Rh
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Ox. State
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Donor atoms
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#108
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)c1ccc(Cl)cc1
4 meas.
MOL
3D
#107
Ru(2)
donors: {"O": 1, "N": 3}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)c1ccccc1
4 meas.
MOL
3D
#106
Ru(2)
donors: {"O": 1, "N": 3}
COc1ccc(/C([O-])=N/N=C\C2=CNC3C=CC=CC23)cc1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#105
Ru(2)
donors: {"O": 1, "N": 3}
[Cl-].[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)c1ccc(Cl)cc1.c1ccccc1
4 meas.
MOL
3D
#104
Ru(2)
donors: {"O": 1, "N": 3}
[Cl-].[O-]/C(=N\N=C/C1=CNC2C=CC=CC12)c1ccccc1.c1ccccc1
4 meas.
MOL
3D
#103
Ru(2)
donors: {"O": 1, "N": 2}
COc1ccc(/C([O-])=N/N=C\c2c3ccccc3cc3ccccc23)cc1.Cc1ccc(C(C)C)cc1.[Cl-]
4 meas.
MOL
3D
#102
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1
4 meas.
MOL
3D
#101
Ru(2)
donors: {"O": 1, "N": 2}
Cc1ccc(C(C)C)cc1.[Cl-].[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1ccccc1
4 meas.
MOL
3D
#100
Ru(2)
donors: {"O": 1, "N": 2}
COc1ccc(/C([O-])=N/N=C\c2c3ccccc3cc3ccccc23)cc1.[Cl-].c1ccccc1
4 meas.
MOL
3D
#99
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1.c1ccccc1
4 meas.
MOL
3D
#98
Ru(2)
donors: {"O": 1, "N": 2}
[Cl-].[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1ccccc1.c1ccccc1
4 meas.
MOL
3D
#97
Ru(2)
donors: {"N": 3, "S": 1, "P": 2}
N=c1cc(N)nc([S-])[nH]1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
4 meas.
MOL
3D
#96
Ru(2)
donors: {"S": 1, "N": 3, "P": 3}
[S-]c1ncccn1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
4 meas.
MOL
3D
#95
Ru(2)
donors: {"S": 1, "N": 2, "P": 3}
[S-]C1=NCCS1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
4 meas.
MOL
3D
#94
Ru(2)
donors: {"P": 2, "N": 6}
[C-]#[N+]CP(=O)(OCC)OCC.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
6 meas.
MOL
3D
#93
Ru(2)
donors: {"N": 7, "P": 1}
[C-]#[N+]C1CCCCC1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
6 meas.
MOL
3D
#92
Ru(2)
donors: {"P": 2, "N": 6}
COP(OC)OC.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
6 meas.
MOL
3D
#91
Ru(2)
donors: {"N": 7, "P": 1}
Oc1cccnc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
6 meas.
MOL
3D
#90
Ru(2)
donors: {"P": 1, "N": 5}
[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cn[nH]c1.c1cnn(C(n2cccn2)n2cccn2)c1
6 meas.
MOL
3D
#89
Ru(2)
donors: {"P": 1, "N": 5}
[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2[nH]cnc2c1.c1cnn(C(n2cccn2)n2cccn2)c1
6 meas.
MOL
3D
#88
Ru(2)
donors: {"N": 5, "P": 1}
Cn1ccnc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
6 meas.
MOL
3D
#87
Ru(2)
donors: {"N": 7, "P": 1}
CC#N.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
6 meas.
MOL
3D
#86
Ru(2)
donors: {"P": 2, "N": 6}
[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1
6 meas.
MOL
3D
#85
Ru(2)
donors: {"O": 1, "N": 4}
O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc([O-])c12.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)c...
6 meas.
MOL
3D
#84
Ru(2)
donors: {"O": 1, "N": 4}
O=c1cc(-c2ccccc2)oc2cc(O)cc([O-])c12.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)c...
6 meas.
MOL
3D
#83
Ru(2)
donors: {"O": 1, "N": 4}
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc([O-])c12.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc2...
6 meas.
MOL
3D
#82
Ru(2)
donors: {"O": 1, "N": 4}
O=c1cc(-c2ccccc2)oc2cccc([O-])c12.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
6 meas.
MOL
3D
#81
Ru(2)
donors: {"N": 2, "O": 3, "P": 2}
CSC(S)=NN=Cc1ccc([O-])cc1[O-].[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
8 meas.
MOL
3D
#80
Ru(2)
donors: {"N": 8}
[c-]1ccccc1-c1ccccn1.c1cc2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c1)c2c34.c1ccc(-c2ccccn2)nc1
9 meas.
MOL
3D
#79
Ru(2)
donors: {"N": 6}
c1cc2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c1)c2c34.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)c...
9 meas.
MOL
3D
#78
Ru(2)
donors: {"N": 6}
Cc1ccnc2c1ccc1c(C)ccnc12.Cc1ccnc2c1ccc1c(C)ccnc12.c1cc2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c1)c2c34
9 meas.
MOL
3D
#77
Ru(2)
donors: {"N": 6}
c1cc2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c1)c2c34.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
9 meas.
MOL
3D
#76
Ru(2)
donors: {"N": 6}
Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.c1cc2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c1)c2c34
9 meas.
MOL
3D
#75
Ru(2)
donors: {"N": 6}
c1cc2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c1)c2c34.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
9 meas.
MOL
3D
#74
Ru(2)
donors: {"N": 6}
c1cc2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c1)c2c34.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
9 meas.
MOL
3D
#73
Ru(2)
donors: {"N": 4}
[Cl-].[Cl-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
40 meas.
MOL
3D
#72
Ru(2)
donors: {"O": 1, "N": 4}
Cc1occc(=O)c1[O-].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
10 meas.
MOL
3D
#71
Ru(2)
donors: {"O": 1, "N": 6}
COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O.c1ccc(-c2ccccn2)nc1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1
3 meas.
MOL
3D
#70
Ru(2)
donors: {"O": 1, "N": 4}
COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
12 meas.
MOL
3D
#69
Ru(2)
donors: {"N": 6}
CC#N.CC#N.CC[n+]1[c-]n(-c2ccccn2)cc1.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#68
Ru(2)
donors: {"N": 6}
CC#N.CC#N.Fc1c(F)c(F)c(C[n+]2[c-]n(-c3ccccn3)cc2)c(F)c1F.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#67
Ru(2)
donors: {"N": 6}
CC#N.CC#N.Cc1c(C)c(C)c(C[n+]2[c-]n(-c3ccccn3)cc2)c(C)c1C.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#66
Ru(2)
donors: {"N": 6}
CC#N.CC#N.Cc1c(C)c(C)c(C[n+]2[c-]n(-c3ccccn3)cc2)c(C)c1C.Cc1ccc(-c2ccc(C)cn2)nc1
6 meas.
MOL
3D
#65
Ru(2)
donors: {"N": 6}
CC#N.CC#N.Cc1c(C)c(C)c(C[n+]2[c-]n(-c3ccccn3)cc2)c(C)c1C.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#64
Ru(2)
donors: {"N": 6}
CC#N.CC#N.CC#N.CC#N.Cc1c(C)c(C)c(C[n+]2[c-]n(-c3ccccn3)cc2)c(C)c1C
6 meas.
MOL
3D
#63
Ru(2)
donors: {"N": 6}
CC#N.CC#N.[c-]1n(-c2ccccn2)cc[n+]1Cc1ccccc1.c1cnc2c(c1)ccc1cccnc12
6 meas.
MOL
3D
#62
Ru(2)
donors: {"N": 6}
CC#N.CC#N.Cc1ccc(-c2ccc(C)cn2)nc1.[c-]1n(-c2ccccn2)cc[n+]1Cc1ccccc1
6 meas.
MOL
3D
#61
Ru(2)
donors: {"N": 6}
CC#N.CC#N.[c-]1n(-c2ccccn2)cc[n+]1Cc1ccccc1.c1ccc(-c2ccccn2)nc1
6 meas.
MOL
3D
#60
Ru(2)
donors: {"N": 6}
CC#N.CC#N.CC#N.CC#N.[c-]1n(-c2ccccn2)cc[n+]1Cc1ccccc1
6 meas.
MOL
3D
#59
Ru(3)
donors: {"S": 1, "O": 1, "N": 3}
CS(C)=O.Nc1ccccc1-c1nc2ccccc2[nH]1.[Cl-].[Cl-].[Cl-]
3 meas.
MOL
3D
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140/142 (7058 total)