Firstly, we described the stability of graphene nanosheet and the copper corrole (CuC) structures employing energetic values. Thus, the Ecoh values reach about -7.0 and -5.4 eV for graphene nanosheet and copper corroles, respectively. Besides, the local interaction of the Cu center with corrole ligands was also examined using the interaction energy (∆EINT in Secondly, we described the geometrical parameter of the built graphene nanosheet (G), specifically C-C bond lengths and ∡CCC angles, which reach average values of 1.4 Å and 120º, respectively (Fig. ). The CuC showed different lengths varying from 9.3 to 24.3 Å (Fig. ) regarding the boundary length of the corresponding substituents linked at the meso positions of the corrole core. The obtained geometric parameters of CuN4 core in the isolated copper corroles (C1-C7) agree with related reported compounds obtained from theoretical and experimental analyses . For instance, the average Cu-N bond length of about 1.9 Å, while ∡NCuN axial angles are 80 -81º and 97 -98º for ∡N1CuN1 and ∡N2CuN2, respectively (see Fig. for general labeling). On the other side, considering the non-innocent character of the corrole ligand in this type of complexes, the structure of the corrole core was analyzed based on the torsion angles (α, β, γ, δ, and ψ) to describe the planarity of the corrole macrocycle , which is summarized in Table and depicted in were observed for KAGGIJ and RINCAS crystal structures (CSD codes) in agreement with C5 and C7, respectively, demonstrating the validity of the obtained structures. Thus, C3 and C5 are representative cases, where planarity distortion depends on the chemical and electronic effect of the meso substituents, especially for π-conjugated or aryl groups substituents (Fig. ). Analogous results were obtained for substituted metallo-corroles described in the literature where the values vary because of steric repulsion of substituents and the metal incorporated in the structure . For instance, it was shown that the planarity of Au corrole suffered significant changes after iodination; nevertheless, more substantial changes were observed after replacing gold with silver or copper . According to structural searches, meso substituents are aryl groups; and only a reduced number of reported copper corroles display non-aromatic groups in these positions according to CSD search. This suggest that the hight factibility of synthesize corroles with different aromatic meso substituents can be combined with the choice of metal complexed to tune electronic and structural properties in corroles rational design.