Calculated values ). c First estimated from the magnetization vs H at 2-7 K but does not vary with temperature. d Determined by EPR for the high-spin S = 3/2 state. High-spin EPR signals in Figure were simulated using D obtained from magnetic data. For a definition of the SCXRD-derived models see Figure and accompanying text. e Ueff values (2D) were calculated from experimentally obtained D.