BioLiP

PDB

BioLiP

PDB CCD ID:

A1IQW

Number of entries in BioLiP:

Chemical formula:

C18 H15 F2 N2 O7 Ru2

InChI:

InChI=1S/C13H9F2N2.2C2H4O2.CH2O3.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2*1-2(3)4;2-1(3)4;;/h1-9H;2*1H3,(H,3,4);(H2,2,3,4);;/q-1;;;;+1;+4/p-4

InChIKey:

SGNOFJFBIMDYBK-UHFFFAOYSA-J

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)[O-].CC(=O)[O-].[O-]C(=O)O[Ru++]N(C=[N-]([Ru++])c1ccc(F)cc1)c2ccc(F)cc2
OpenEye OEToolkits 2.0.7	CC1=O[Ru+2]234N(C=[N-]([Ru+2]2([O-]1)([O-]C(=O3)C)[O-]C(=O)O4)c5ccc(cc5)F)c6ccc(cc6)F

Name:

[Ru2-N,N'-diphenylformamidinate(O2CCH3)2(O2CO)] complex;
Diruthenium complex

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).