Herein , we present the synthesis of ac ubic ferric catecholate framework material coined Fe - HHTP - MOF . TheF e - HHTP - MOF is obtained in as olvothermal reaction as ad ark black powder consisting of intergrown tetrahedral crystallites in the 300 - 500 nm size range . T he structure was solved from powder X - ray diffraction data using aM o - K a source by indexing and as ubsequent simulated annealing step . T he unit cell obtained was subjected to aD FT optimization and Rietveld refinement to give af inal structure model with the cubic space group F23 . Thes tructure of Fe - HHTP - MOF is composed of iron - connected supertetrahedra to give ad iamond - like topology . T he tetrahedra are composed of four triphenylene units that form the facets and are interconnected by ad efined trinuclear iron - oxo cluster . T he Fe - HHTP - MOF is microporous with aB ET surface area exceeding 1400 m 2 g À1 .M oreover , F e - HHTP - MOF combines this high surface area with electrical conductivity of about 10 À3 Scm À1 , t hus establishing an exceptionally high intrinsic conductivity for a3 D - connected framework . Thed eep black appearance of the material was studied by reflectance measurements , g iving ar emarkably low degree of reflection up to 1.5 % i nt he visible spectral regime for ap orous framework . Then ature of the ferric repeat unit was elucidated by means of XPS , E PR , SQUID , a nd 57 Fe Mçssbauer measurements , i ndicating the presence of ap urely ferric , high - spin Fe III framework . To gain further insights into the electrical conductivity of Fe - HHTP - MOF , w ep erformed quantum mechanical calculations , w hich suggest the Fe - HHTP - MOF to be an efficient electron conductor that exhibits continuous paths through the conducting framework atoms . T his work sheds light on the subtle interplay of the structure , p orosity , e lectronic properties , e lectrical conductance , and broad - band optical absorption of novel framework materials , which serves as ablueprint for the future design of electrically conducting metal - organic frameworks . T he combination of the substantial porosity of Fe - HHTP - MOF with high electrical conductivity and an arrow direct band gap offers exciting opportunities for the design of novel chemical sensors , o rganic optoelectronics , a nd for electric control of mass transport in porous systems , such as microfluidics . Figure 7 . A ) Calculated hole - and B ) electron - transport paths . Isocontour plots for 8time steps ( 24 fs each ) of the electron ( green to blue ) and hole density ( green to red;c ontour level = 1.2 10 À5 e - Bohr À3 ) . The initial Gaussian functioni sshown as transparentsphere . Isocontour plots of C ) the PM6 local electron affinity ( contour level = 0kcal mol À1 ) a nd D ) local ionization energy ( contour level = 330 kcal mol À1 = 14.3 eV ) .