Synthesis of Fully Dehydrated Partially Cs+-exchanged Zeolite Y (FAU, Si/Al = 1.56), |Cs45Na30|[Si117Al75O384]-FAU and Its Single-crystal Structure

Abstract

Summary of experimental and crystallographic dataCrystal cross section (µm) 280Ion exchange T (K) 293Ion exchange for Cs + (days, mL) 3, 15.0 Dehydration T (K) 673Data collection T (K) 294(1)Space group, ZFd 3 m , 1X-ray source PLS (4A MXW BL)Wavelength (A) 0.76999Unit cell constant, a (A) 24.9080(10)2θ range in data collection (deg) 54.80No. of unique reflections, m 922No. of reflections with F o > 4σ( F o ) 877No. of variables, s 57Data/parameter ratio, m/s 16.2Weighting parameters, a/b 0.120/1483.7Final error indices R 1 / R 2 ( F o > 4σ( F o )) a 0.0966/0.2641 R 1 / R 2 (all intensities) b 0.0987/0.2644Goodness-of-fit c 1.142 a R 1 = Σ| F o -| F c ||/Σ F o and R 2 = [Σ w ( F o2 - F c2 ) 2 /Σ w ( F o2 ) 2 ] 1/2 ; R 1 and R 2 are calculated using only the 877 reflections for which F o > 4σ( F o ). b R 1 and R 2 are calculated using all unique reflections measured. c Goodness-of-fit = (Σ w ( F o2 - F c2 ) 2 /( m - s )) 1/2 , where m and s are the number of unique reflec- tions and variables, respectively.