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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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#4858
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.O=C([N-]c1ccccc1)c1cc(C(F)(F)F)ccn1.[Cl-]
1 meas.
MOL
3D
#4857
Ir(3)
donors: {"N": 2}
Cc1c(C)c(C)[c-](C)c1C.O=C([N-]c1ccccc1)c1ccccn1.[Cl-]
6 meas.
MOL
3D
#4856
Ir(3)
donors: {"N": 6}
Fc1cc2ccccc2cc1Oc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
5 meas.
MOL
3D
#4855
Ir(3)
donors: {"N": 6}
Fc1cc2ccccc2cc1Oc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12
5 meas.
MOL
3D
#4854
Ir(3)
donors: {"N": 6}
Fc1cc2ccccc2cc1Oc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
5 meas.
MOL
3D
#4853
Ir(3)
donors: {"N": 5}
Cc1ccnc(-c2cc(CNC(=O)c3c4ccccc4cc4ccccc34)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
6 meas.
MOL
3D
#4852
Ir(3)
donors: {"N": 5}
Cc1ccnc(-c2cc(CN)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
25 meas.
MOL
SDF
PDB
XYZ
3D
#4851
Ir(3)
donors: {"N": 4}
O=Cc1c[c-]c(-c2ccc3ccccc3n2)cc1.O=Cc1c[c-]c(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
1 meas.
MOL
3D
#4850
Ir(3)
donors: {"N": 4}
Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.O=Cc1c[c-]c(-c2ccc3ccccc3n2)cc1.O=Cc1c[c-]c(-c2ccc3ccccc3n2)cc1
1 meas.
MOL
3D
#4849
Ir(3)
donors: {"N": 4}
O=Cc1c[c-]c(-c2ccc3ccccc3n2)cc1.O=Cc1c[c-]c(-c2ccc3ccccc3n2)cc1.c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
#4848
Ir(3)
donors: {"N": 4}
O=Cc1c[c-]c(-c2ccc3ccccc3n2)cc1.O=Cc1c[c-]c(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#4847
Ir(3)
donors: {"O": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C1C=C([O-])C(=O)c2ccccc21.[Cl-]
2 meas.
MOL
3D
#4846
Ir(3)
donors: {"N": 1}
C/C(=C/C(=O)c1cccc(F)c1)[N-]c1ccccc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]
2 meas.
MOL
3D
#4845
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C([N-]c1cc(F)ccc1F)c1ccccc1.[Cl-]
2 meas.
MOL
3D
#4844
Ir(3)
donors: {"N": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C([N-]c1ccc(F)cc1F)c1ccccc1.[Cl-]
2 meas.
MOL
3D
#4843
Ir(3)
donors: {"N": 8}
FC(F)(F)c1ccc(Cn2c(-c3[c-]ccs3)nc3ccccc32)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]ccs3)nc3ccccc32)cc1.c1ccc2nc3c4cccnc4c4ncccc4c3n...
1 meas.
MOL
3D
#4842
Ir(3)
donors: {"N": 8}
Cn1c(-c2[c-]ccs2)nc2ccccc21.Cn1c(-c2[c-]ccs2)nc2ccccc21.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
4 meas.
MOL
3D
#4841
Ir(3)
donors: {"N": 8}
[c-]1ccsc1-c1nc2ccccc2[nH]1.[c-]1ccsc1-c1nc2ccccc2[nH]1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
1 meas.
MOL
3D
#4840
Ir(3)
donors: {"N": 8}
FC(F)(F)c1ccc(Cn2c(-c3[c-]cc4ccccc4c3)nc3ccccc32)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]cc4ccccc4c3)nc3ccccc32)cc1.c1ccc2nc3c4ccc...
1 meas.
MOL
3D
#4839
Ir(3)
donors: {"N": 8}
Cn1c(-c2[c-]cc3ccccc3c2)nc2ccccc21.Cn1c(-c2[c-]cc3ccccc3c2)nc2ccccc21.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
1 meas.
MOL
3D
#4838
Ir(3)
donors: {"N": 8}
[c-]1cc2ccccc2cc1-c1nc2ccccc2[nH]1.[c-]1cc2ccccc2cc1-c1nc2ccccc2[nH]1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
1 meas.
MOL
3D
#4837
Ir(3)
donors: {"N": 8}
FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.c1ccc2nc3c4cccnc4c4ncccc4c...
6 meas.
MOL
3D
#4836
Ir(3)
donors: {"N": 8}
Cn1c(-c2[c-]cccc2)nc2ccccc21.Cn1c(-c2[c-]cccc2)nc2ccccc21.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
1 meas.
MOL
3D
#4835
Ir(3)
donors: {"N": 8}
[c-]1ccccc1-c1nc2ccccc2[nH]1.[c-]1ccccc1-c1nc2ccccc2[nH]1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
1 meas.
MOL
3D
#4834
Ru(2)
donors: {"N": 1}
C[n+]1[c-]n(Cc2ccccc2)c2ccccc21.Cc1ccc(C(C)C)cc1.[Br-].[Br-]
3 meas.
MOL
3D
#4833
Ru(2)
donors: {"N": 1}
C[n+]1[c-]n(Cc2ccccc2)c2ccccc21.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]
3 meas.
MOL
3D
#4832
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[I-].[I-].[c-]1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1
3 meas.
MOL
3D
#4831
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[Br-].[Br-].[c-]1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1
3 meas.
MOL
3D
#4830
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].[c-]1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1
3 meas.
MOL
3D
#4829
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cn1[c-][n+](C)c2ccccc21.[I-].[I-]
3 meas.
MOL
3D
#4828
Ru(2)
donors: {"N": 1}
Cc1ccc(C(C)C)cc1.Cn1[c-][n+](C)c2ccccc21.[Br-].[Br-]
3 meas.
MOL
3D
#4827
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=C(CCCCCCC(=O)Nc1ccc(NC(=S)c2ccccn2)cc1)NO.[Cl-]
4 meas.
MOL
3D
#4826
Ru(2)
donors: {"N": 4}
Cc1ccc(C(C)C)cc1.O=C(CCC(=O)Nc1ccc(NC(=S)c2ccccn2)cc1)NO.[Cl-]
4 meas.
MOL
3D
#4825
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(O)CCCCCCC(=O)Nc1ccc(NC(=S)c2ccccn2)cc1.[Cl-]
4 meas.
MOL
3D
#4824
Ru(2)
donors: {"N": 3}
Cc1ccc(C(C)C)cc1.O=C(O)CCC(=O)Nc1ccc(NC(=S)c2ccccn2)cc1.[Cl-]
4 meas.
MOL
3D
#4823
Ru(2)
donors: {"N": 2}
CCc1cccc(CC)c1/N=C(\C)C(C)([N-]c1c(CC)cccc1CC)C(=O)OC.Cc1ccc(C(C)C)cc1
3 meas.
MOL
3D
#4822
Ru(2)
donors: {"N": 6}
Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1
1 meas.
MOL
3D
#4821
Ru(2)
donors: {"N": 6}
Cc1ccc2c3c(c4ccc(C)nc4c2n1)OCCO3.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#4820
Ru(2)
donors: {"N": 6}
c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1c(c3cccnc32)OCCO1
1 meas.
MOL
3D
#4819
Ru(2)
donors: {"N": 6}
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NCCCCCCOc3ccc(-c4nc5c6cccnc6c6ncccc6c5n4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccccn2)n...
4 meas.
MOL
3D
#4818
Ru(2)
donors: {"N": 6}
NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCNc2ccnc(-c3cc(NCCNC(=O)CCC(=O)Nc4ccc(S(N)(=O)=O)cc4)ccn3)c2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c...
8 meas.
MOL
3D
#4817
Ru(2)
donors: {"N": 6}
Nc1ccnc(-c2cc(NCCNC(=O)CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2c...
8 meas.
MOL
3D
#4816
Ru(2)
donors: {"N": 8}
Nc1ccnc(-c2cc(N)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
8 meas.
MOL
3D
#4815
Ru(2)
donors: {"N": 8}
Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
5 meas.
MOL
3D
#4814
Ru(2)
donors: {"N": 6}
CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccccc4C3(C)C)=C2Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccccc3)cc2)C(C)(C)c2ccccc21.c1cc...
1 meas.
MOL
3D
#4813
Ru(2)
donors: {"N": 6}
CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccc(I)cc4C3(C)C)=C2Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccccc3)cc2)C(C)(C)c2cc(I)ccc2...
1 meas.
MOL
3D
#4812
Ru(2)
donors: {"N": 6}
CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccccc4C3(C)C)=C2Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccccc3)cc2)C(C)(C)c2ccccc21.c1cc...
1 meas.
MOL
3D
#4811
Ru(2)
donors: {"N": 8}
Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.c1cnc2nc(-c3ccc4cccnc4n3)ccc2c1
1 meas.
MOL
3D
#4810
Ru(2)
donors: {"N": 6}
Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
1 meas.
MOL
3D
#4809
Ru(2)
donors: {"N": 8}
Cc1cccc(-c2cccc(C)n2)n1.Cc1cccc(-c2cccc(C)n2)n1.c1cnc(-c2cnccn2)cn1
1 meas.
MOL
3D
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45/142 (7058 total)