Here, we apply our recently developed hybrid vibronic coupling model embedded into a molecular mechanics environment method to characterize the solvent dynamics around [Fe(CN) 4 (bipy)] 2-via time-dependent three-dimensional spatial distribution functions (TD-3D-SDFs). This approach provides an unprecedented spatially resolved view of the photoinduced dynamical changes within the solvation shell over time, allowing one to determine whether solvent reorganization is homogeneous or inhomogeneous around the molecule, and how strongly the solvent response is damped. Additionally, it enables us to investigate whether the solvation shell evolves via directed migration of hydrogen-bonded waters or through a bulk-exchange mechanism, as well as to reveal correlations in the solvation structure with the electronic charge transfer character. Understanding the interaction between [Fe(CN) 4 (bipy)] 2-and its solvent, especially its impact on the MC states, is essential to advance the design of more efficient 3d metal-based complexes for photocatalytic applications.